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

C15H12BrNO4 — CID 107264705

IUPAC3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2O)cc1Br
InChIInChI=1S/C15H12BrNO4/c1-8-2-3-9(6-11(8)16)14(19)17-12-7-10(15(20)21)4-5-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyDLLVSYRLMBCEIE-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.41
Rot. Bonds3

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

3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid (PubChem CID 107264705) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
PubChem CID107264705
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2O)cc1Br
InChIInChI=1S/C15H12BrNO4/c1-8-2-3-9(6-11(8)16)14(19)17-12-7-10(15(20)21)4-5-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyDLLVSYRLMBCEIE-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'}

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Related Compounds

4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 81457052
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107670939
2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 81470848
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-[(2,4-dibromobenzoyl)amino]-4-hydroxybenzoic acid
CID 107938407
3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
CID 75465271
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid (CID 107264705) is 3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2O)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid?
The InChIKey is DLLVSYRLMBCEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-8-2-3-9(6-11(8)16)14(19)17-12-7-10(15(20)21)4-5-13(12)18/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid?
3-[(3-bromo-4-methylbenzoyl)amino]-4-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 3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 107264705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).