4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid

C15H11BrFNO3 — CID 103822569

IUPAC4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H11BrFNO3/c1-8-6-10(15(20)21)3-5-13(8)18-14(19)9-2-4-12(17)11(16)7-9/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyRXPISMVJMJUPAI-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.85
Rot. Bonds3

About 4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid

4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid (PubChem CID 103822569) has the molecular formula C15H11BrFNO3 and a molecular weight of 352.16 g/mol. Its IUPAC name is 4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
PubChem CID103822569
Molecular FormulaC15H11BrFNO3
Molecular Weight352.16 g/mol
Exact Mass350.99
IUPAC Name4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H11BrFNO3/c1-8-6-10(15(20)21)3-5-13(8)18-14(19)9-2-4-12(17)11(16)7-9/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyRXPISMVJMJUPAI-UHFFFAOYSA-N
XLogP3.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
CID 103807594
3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 81457052
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
3-bromo-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 107951971
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
CID 107951894
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid (CID 103822569) is 4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid?
The InChIKey is RXPISMVJMJUPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO3/c1-8-6-10(15(20)21)3-5-13(8)18-14(19)9-2-4-12(17)11(16)7-9/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid?
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid has a molecular weight of 352.16 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 103822569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).