2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid

C15H9ClN2O3 — CID 63723423

IUPAC2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid
SMILESN#Cc1ccc(C(=O)Nc2cccc(Cl)c2C(=O)O)cc1
InChIInChI=1S/C15H9ClN2O3/c16-11-2-1-3-12(13(11)15(20)21)18-14(19)10-6-4-9(8-17)5-7-10/h1-7H,(H,18,19)(H,20,21)
InChIKeyDJQVIINWVIJKGF-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.16
Rot. Bonds3

About 2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid

2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid (PubChem CID 63723423) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid
PubChem CID63723423
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid
SMILESN#Cc1ccc(C(=O)Nc2cccc(Cl)c2C(=O)O)cc1
InChIInChI=1S/C15H9ClN2O3/c16-11-2-1-3-12(13(11)15(20)21)18-14(19)10-6-4-9(8-17)5-7-10/h1-7H,(H,18,19)(H,20,21)
InChIKeyDJQVIINWVIJKGF-UHFFFAOYSA-N
XLogP3.16
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid
CID 43442938
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
2-chloro-6-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 63724110
N-(3-chloro-2-cyanophenyl)benzamide
CID 102229158
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
2-chloro-6-[(5-iodothiophene-3-carbonyl)amino]benzoic acid
CID 79685074
2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid
CID 63723613
N-(3-amino-2-methylphenyl)-4-cyanobenzamide
CID 16781940
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid (CID 63723423) is 2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid is N#Cc1ccc(C(=O)Nc2cccc(Cl)c2C(=O)O)cc1.
What is the InChIKey of 2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid?
The InChIKey is DJQVIINWVIJKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-11-2-1-3-12(13(11)15(20)21)18-14(19)10-6-4-9(8-17)5-7-10/h1-7H,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid?
2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid has a molecular weight of 300.70 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid is sourced from PubChem (CID 63723423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).