5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid

C15H12BrNO4 — CID 62048306

IUPAC5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1O
InChIInChI=1S/C15H12BrNO4/c1-8-2-3-9(6-13(8)18)14(19)17-12-5-4-10(16)7-11(12)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyDMGOPCMLOKBTIK-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.41
Rot. Bonds3

About 5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid

5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid (PubChem CID 62048306) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
PubChem CID62048306
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1O
InChIInChI=1S/C15H12BrNO4/c1-8-2-3-9(6-13(8)18)14(19)17-12-5-4-10(16)7-11(12)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyDMGOPCMLOKBTIK-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

Analyze 5-bromo-2-[(3-hydroxy-4-methylbenzoyl)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-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
CID 5181471
5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 62050351
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
2-[(5-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 65307924
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 45434249
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
N-(2-bromo-4-chlorophenyl)-3-hydroxy-4-methylbenzamide
CID 81271106
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid (CID 62048306) is 5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1O.
What is the InChIKey of 5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid?
The InChIKey is DMGOPCMLOKBTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-8-2-3-9(6-13(8)18)14(19)17-12-5-4-10(16)7-11(12)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid?
5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic 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 5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 62048306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).