5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid

C15H9BrN2O3 — CID 45434103

IUPAC5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
SMILESN#Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1
InChIInChI=1S/C15H9BrN2O3/c16-11-5-6-13(12(7-11)15(20)21)18-14(19)10-3-1-9(8-17)2-4-10/h1-7H,(H,18,19)(H,20,21)
InChIKeyAVANBQVBWCMSLW-UHFFFAOYSA-N
MW345.15 g/mol
LogP3.27
Rot. Bonds3

About 5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid

5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid (PubChem CID 45434103) has the molecular formula C15H9BrN2O3 and a molecular weight of 345.15 g/mol. Its IUPAC name is 5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
PubChem CID45434103
Molecular FormulaC15H9BrN2O3
Molecular Weight345.15 g/mol
Exact Mass343.98
IUPAC Name5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
SMILESN#Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1
InChIInChI=1S/C15H9BrN2O3/c16-11-5-6-13(12(7-11)15(20)21)18-14(19)10-3-1-9(8-17)2-4-10/h1-7H,(H,18,19)(H,20,21)
InChIKeyAVANBQVBWCMSLW-UHFFFAOYSA-N
XLogP3.27
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-[(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

N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
CID 5181471
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 45434249
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
CID 2258349
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 45340154
5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 62048306
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid (CID 45434103) is 5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid is N#Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1.
What is the InChIKey of 5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid?
The InChIKey is AVANBQVBWCMSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O3/c16-11-5-6-13(12(7-11)15(20)21)18-14(19)10-3-1-9(8-17)2-4-10/h1-7H,(H,18,19)(H,20,21).
What are the key properties of 5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid?
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid has a molecular weight of 345.15 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid is sourced from PubChem (CID 45434103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).