4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid

C15H12BrNO4 — CID 81457285

IUPAC4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1Br
InChIInChI=1S/C15H12BrNO4/c1-8-2-3-9(6-11(8)16)14(19)17-12-5-4-10(15(20)21)7-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyBPPMCOBDOSWPMH-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.41
Rot. Bonds3

About 4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid

4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid (PubChem CID 81457285) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
PubChem CID81457285
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1Br
InChIInChI=1S/C15H12BrNO4/c1-8-2-3-9(6-11(8)16)14(19)17-12-5-4-10(15(20)21)7-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyBPPMCOBDOSWPMH-UHFFFAOYSA-N
XLogP3.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic 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

3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705
3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 81457052
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 81470848
5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 62048306
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
CID 1297695
3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336599
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid (CID 81457285) is 4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid is Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1Br.
What is the InChIKey of 4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid?
The InChIKey is BPPMCOBDOSWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-8-2-3-9(6-11(8)16)14(19)17-12-5-4-10(15(20)21)7-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid?
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid has a molecular weight of 350.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 81457285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).