2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide

C16H11ClN2O2 — CID 90451435

IUPAC2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide
SMILESCC(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1C#N
InChIInChI=1S/C16H11ClN2O2/c1-10(20)13-4-2-3-5-14(13)16(21)19-15-7-6-12(17)8-11(15)9-18/h2-8H,1H3,(H,19,21)
InChIKeyLWJNWTGXOXVOLA-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.67
Rot. Bonds3

About 2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide

2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide (PubChem CID 90451435) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide.

Molecular Properties

Compound Name2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide
PubChem CID90451435
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide
SMILESCC(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1C#N
InChIInChI=1S/C16H11ClN2O2/c1-10(20)13-4-2-3-5-14(13)16(21)19-15-7-6-12(17)8-11(15)9-18/h2-8H,1H3,(H,19,21)
InChIKeyLWJNWTGXOXVOLA-UHFFFAOYSA-N
XLogP3.67
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide
CID 62167777
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712
5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862144
N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide
CID 43548896
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426
N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide
CID 107986297
2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 103739886
2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide
CID 64914385
2-chloro-N-(2-cyanophenyl)-3-fluorobenzamide
CID 79044792
[2-[(2-cyano-4-methylphenyl)carbamoyl]phenyl] acetate;ethane
CID 142951168
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide?
The IUPAC name of 2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide (CID 90451435) is 2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide.
What is the SMILES notation for 2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide?
The canonical SMILES for 2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide is CC(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1C#N.
What is the InChIKey of 2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide?
The InChIKey is LWJNWTGXOXVOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c1-10(20)13-4-2-3-5-14(13)16(21)19-15-7-6-12(17)8-11(15)9-18/h2-8H,1H3,(H,19,21).
What are the key properties of 2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide?
2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide has a molecular weight of 298.73 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide is sourced from PubChem (CID 90451435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).