Molecular Weight of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide (C19H18ClNO3)
Identification of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide Chemical Compound
| Chemical Formula | C19H18ClNO3 |
|---|---|
| Molecular Weight | 343.80412 g/mol |
| IUPAC Name | N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide |
| SMILES String | Clc1ccc(cc1)C(C2CC2)C(=O)NCc4ccc3OCOc3c4 |
| InChI | InChI=1S/C19H18ClNO3/c20-15-6-4-14(5-7-15)18(13-2-3-13)19(22)21-10-12-1-8-16-17(9-12)24-11-23-16/h1,4-9,13,18H,2-3,10-11H2,(H,21,22) |
| InChIKey | XNHXGGSWTZBIFB-UHFFFAOYSA-N |
Molecular Weight Description
The N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide molecule consists of 18 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Chlorine atom(s) - a total of 42 atom(s). The molecular weight of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 343.80412 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide Molecule
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Structure Data File (SDF/MOL File) of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide
The structure data file (SDF/MOL File) of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide is available for download in the SDF page of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide, which provides the information on atoms, bonds, connectivity and coordinates of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide. The N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide
The molecular structure image of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide is available in chemical structure page of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide and the chemical bonds that hold the atoms together.
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Chemical formula of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide
The molecular formula of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide is given in chemical formula page of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide
In addition to the molecular weight information, the structural information of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide in a textual expression is available via InChi. The full standard InChI of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide is given below:
InChI=1S/C19H18ClNO3/c20-15-6-4-14(5-7-15)18(13-2-3-13)19(22)21-10-12-1-8-16-17(9-12)24-11-23-16/h1,4-9,13,18H,2-3,10-11H2,(H,21,22)
It can provide a way to encode the molecular information of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide is:
InChIKey=XNHXGGSWTZBIFB-UHFFFAOYSA-N
It may allow easier web searches for N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide
There may be different names of the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
None available.
N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide? |
|---|
| C19H18ClNO3 |
| How many atoms and what are the elements in the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide molecule? |
| 42 atom(s) - 18 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Chlorine atom(s) |
| How many chemical bonds and what types of bonds are in the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide structure? |
| 45 bond(s) - 27 non-H bond(s), 13 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 1 three-membered ring(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 secondary amide(s) (aliphatic), and 2 ether(s) (aromatic) |
| What’s the molar mass of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide? |
| 343.80412 g/mol |
| What’s the SMILES format of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide? |
| Clc1ccc(cc1)C(C2CC2)C(=O)NCc4ccc3OCOc3c4 |
| What’s the InChI format of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide? |
| InChI=1S/C19H18ClNO3/c20-15-6-4-14(5-7-15)18(13-2-3-13)19(22)21-10-12-1-8-16-17(9-12)24-11-23-16/h1,4-9,13,18H,2-3,10-11H2,(H,21,22) |
| What’s the InChIKey string of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide? |
| XNHXGGSWTZBIFB-UHFFFAOYSA-N |
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