2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid

C15H11BrFNO3 — CID 43248205

IUPAC2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H11BrFNO3/c1-8-3-2-4-12(15(20)21)13(8)18-14(19)9-5-10(16)7-11(17)6-9/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyQIOLBZALVQYUMO-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.85
Rot. Bonds3

About 2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid

2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid (PubChem CID 43248205) has the molecular formula C15H11BrFNO3 and a molecular weight of 352.16 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid
PubChem CID43248205
Molecular FormulaC15H11BrFNO3
Molecular Weight352.16 g/mol
Exact Mass350.99
IUPAC Name2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H11BrFNO3/c1-8-3-2-4-12(15(20)21)13(8)18-14(19)9-5-10(16)7-11(17)6-9/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyQIOLBZALVQYUMO-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

2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107047530
3-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 63112961
3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832762
2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 16771478
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid
CID 43358342
N-(2-amino-6-fluorophenyl)-3-bromo-5-fluorobenzamide
CID 81313883
2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbenzoic acid
CID 62515133
3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 46489276
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 2866795
6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63642371
2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbenzoic acid
CID 103218854

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid?
The IUPAC name of 2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid (CID 43248205) is 2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1NC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid?
The InChIKey is QIOLBZALVQYUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO3/c1-8-3-2-4-12(15(20)21)13(8)18-14(19)9-5-10(16)7-11(17)6-9/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid?
2-[(3-bromo-5-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-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 43248205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).