Home Chemical Formula N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide

Chemical Formula 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

2D chemical structure image of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide
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

Chemical Formula Description

The N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide molecule contains a total of 42 atom(s). There are 18 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s) and 1 Chlorine atom(s). A chemical formula of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide can therefore be written as:

C19H18ClNO3

The chemical formula of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide
Ball-and-stick model of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide

Additional Information for Identifying N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide Molecule


  • InChI (IUPAC International Chemical Identifier) information of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide is:

    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 standard 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

    The InChIKey may allow easier web searches for N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide, but it needs to be linked to the full InChI to get back to the original structure of the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers 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 compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide including the registry numbers is given below, 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 chemical formula of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide?
C19H18ClNO3
How many atoms and what are they in the N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide structure?
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 are they 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 molecular weight of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide?
343.80412 g/mol
What’s the SMILES string of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide?
Clc1ccc(cc1)C(C2CC2)C(=O)NCc4ccc3OCOc3c4
What’s the InChI 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 of N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-cyclopropylacetamide?
XNHXGGSWTZBIFB-UHFFFAOYSA-N

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