2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid

C15H11BrFNO3 — CID 16771478

IUPAC2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H11BrFNO3/c1-8-3-2-4-11(15(20)21)13(8)18-14(19)10-6-5-9(17)7-12(10)16/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyMHSKZSJPWSXUKO-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.85
Rot. Bonds3

About 2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid

2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid (PubChem CID 16771478) has the molecular formula C15H11BrFNO3 and a molecular weight of 352.16 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
PubChem CID16771478
Molecular FormulaC15H11BrFNO3
Molecular Weight352.16 g/mol
Exact Mass350.99
IUPAC Name2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H11BrFNO3/c1-8-3-2-4-11(15(20)21)13(8)18-14(19)10-6-5-9(17)7-12(10)16/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyMHSKZSJPWSXUKO-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

3-[(2-bromo-4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914905
2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
CID 28520538
2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43248205
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
CID 62515133
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid
CID 63113012
2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide
CID 24693167
5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16772531
2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 28739689
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid
CID 43358342

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid?
The IUPAC name of 2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid (CID 16771478) is 2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid?
The InChIKey is MHSKZSJPWSXUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO3/c1-8-3-2-4-11(15(20)21)13(8)18-14(19)10-6-5-9(17)7-12(10)16/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid?
2-[(2-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 2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 16771478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).