Molecular Weight of Clanfenur (C16H15ClFN3O2)
Identification of Clanfenur Chemical Compound
Chemical Formula | C16H15ClFN3O2 |
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Molecular Weight | 335.7606 g/mol |
IUPAC Name | 1-(4-chlorophenyl)-3-{[2-(dimethylamino)-6-fluorophenyl]carbonyl}urea |
SMILES String | CN(C)c1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2 |
InChI | InChI=1S/C16H15ClFN3O2/c1-21(2)13-5-3-4-12(18)14(13)15(22)20-16(23)19-11-8-6-10(17)7-9-11/h3-9H,1-2H3,(H2,19,20,22,23) |
InChIKey | SRLPZQAEBMZCIJ-UHFFFAOYSA-N |
Molecular Weight Description
The Clanfenur molecule consists of 15 Hydrogen atom(s), 16 Carbon atom(s), 3 Nitrogen atom(s), 2 Oxygen atom(s), 1 Fluorine atom(s), and 1 Chlorine atom(s) - a total of 38 atom(s). The molecular weight of Clanfenur is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 335.7606 · \frac{g}{mol} $$
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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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Clanfenur Molecule
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Structure Data File (SDF/MOL File) of Clanfenur
The structure data file (SDF/MOL File) of Clanfenur is available for download in the SDF page of Clanfenur, which provides the information on atoms, bonds, connectivity and coordinates of Clanfenur. The Clanfenur 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 Clanfenur
The molecular structure image of Clanfenur is available in chemical structure page of Clanfenur, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Clanfenur and the chemical bonds that hold the atoms together.
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Chemical formula of Clanfenur
The molecular formula of Clanfenur is given in chemical formula page of Clanfenur, 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 Clanfenur
In addition to the molecular weight information, the structural information of Clanfenur in a textual expression is available via InChi. The full standard InChI of Clanfenur is given below:
InChI=1S/C16H15ClFN3O2/c1-21(2)13-5-3-4-12(18)14(13)15(22)20-16(23)19-11-8-6-10(17)7-9-11/h3-9H,1-2H3,(H2,19,20,22,23)
It can provide a way to encode the molecular information of Clanfenur 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 Clanfenur is:
InChIKey=SRLPZQAEBMZCIJ-UHFFFAOYSA-N
It may allow easier web searches for Clanfenur. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Clanfenur as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Clanfenur
There may be different names of the Clanfenur compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- KAM54NKT1Q
- Clanfenur (INN)
- Clanfenurum [Latin]
- n-[(4-chlorophenyl)carbamoyl]-2-(dimethylamino)-6-fluorobenzamide
- 1-(4-CHLOROPHENYL)-3-[2-(DIMETHYLAMINO)-6-FLUOROBENZOYL]UREA
- Clanfenurum
- 51213-99-1
- Clanfenur
- CCG-35671
- AR-1K3113
Clanfenur Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Clanfenur? |
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C16H15ClFN3O2 |
How many atoms and what are the elements in the Clanfenur molecule? |
38 atom(s) - 15 Hydrogen atom(s), 16 Carbon atom(s), 3 Nitrogen atom(s), 2 Oxygen atom(s), 1 Fluorine atom(s), and 1 Chlorine atom(s) |
How many chemical bonds and what types of bonds are in the Clanfenur structure? |
39 bond(s) - 24 non-H bond(s), 14 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 urea (-thio) derivative(s), 1 tertiary amine(s) (aromatic), and 1 imide(s) (-thio) |
What’s the molar mass of Clanfenur? |
335.7606 g/mol |
What’s the SMILES format of Clanfenur? |
CN(C)c1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2 |
What’s the InChI format of Clanfenur? |
InChI=1S/C16H15ClFN3O2/c1-21(2)13-5-3-4-12(18)14(13)15(22)20-16(23)19-11-8-6-10(17)7-9-11/h3-9H,1-2H3,(H2,19,20,22,23) |
What’s the InChIKey string of Clanfenur? |
SRLPZQAEBMZCIJ-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).