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

C14H8BrF2NO3 — CID 81497359

IUPAC2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
SMILESO=C(Nc1c(F)cccc1C(=O)O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H8BrF2NO3/c15-9-5-4-7(6-11(9)17)13(19)18-12-8(14(20)21)2-1-3-10(12)16/h1-6H,(H,18,19)(H,20,21)
InChIKeyKXHPBFCYPGUTMM-UHFFFAOYSA-N
MW356.12 g/mol
LogP3.68
Rot. Bonds3

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

2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid (PubChem CID 81497359) has the molecular formula C14H8BrF2NO3 and a molecular weight of 356.12 g/mol. Its IUPAC name is 2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
PubChem CID81497359
Molecular FormulaC14H8BrF2NO3
Molecular Weight356.12 g/mol
Exact Mass354.97
IUPAC Name2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
SMILESO=C(Nc1c(F)cccc1C(=O)O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H8BrF2NO3/c15-9-5-4-7(6-11(9)17)13(19)18-12-8(14(20)21)2-1-3-10(12)16/h1-6H,(H,18,19)(H,20,21)
InChIKeyKXHPBFCYPGUTMM-UHFFFAOYSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.12
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352707
2-[(4-bromo-3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653566
4-bromo-2-[(4-bromo-3-fluorobenzoyl)amino]benzoic acid
CID 63405102
3-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 63112961
2-[(2,5-dibromothiophene-3-carbonyl)amino]-3-fluorobenzoic acid
CID 107949385
2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107688173
4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide
CID 47421879
3-bromo-2-[(4-bromobenzoyl)amino]benzoic acid
CID 63112551
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 81497353

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid (CID 81497359) is 2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid is O=C(Nc1c(F)cccc1C(=O)O)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid?
The InChIKey is KXHPBFCYPGUTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2NO3/c15-9-5-4-7(6-11(9)17)13(19)18-12-8(14(20)21)2-1-3-10(12)16/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid?
2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid has a molecular weight of 356.12 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-fluorobenzoyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 81497359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).