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

C14H9BrFNO3 — CID 115295681

IUPAC2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)c(C(=O)O)c1)c1cccc(F)c1
InChIInChI=1S/C14H9BrFNO3/c15-12-5-4-10(7-11(12)14(19)20)17-13(18)8-2-1-3-9(16)6-8/h1-7H,(H,17,18)(H,19,20)
InChIKeyNLMJMGOFEVEKHX-UHFFFAOYSA-N
MW338.13 g/mol
LogP3.54
Rot. Bonds3

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

2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid (PubChem CID 115295681) has the molecular formula C14H9BrFNO3 and a molecular weight of 338.13 g/mol. Its IUPAC name is 2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid
PubChem CID115295681
Molecular FormulaC14H9BrFNO3
Molecular Weight338.13 g/mol
Exact Mass336.97
IUPAC Name2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)c(C(=O)O)c1)c1cccc(F)c1
InChIInChI=1S/C14H9BrFNO3/c15-12-5-4-10(7-11(12)14(19)20)17-13(18)8-2-1-3-9(16)6-8/h1-7H,(H,17,18)(H,19,20)
InChIKeyNLMJMGOFEVEKHX-UHFFFAOYSA-N
XLogP3.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid
CID 115295936
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837703
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid
CID 131251143
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
3-bromo-4-chloro-N-(3-fluorophenyl)benzamide
CID 107999213
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid?
The IUPAC name of 2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid (CID 115295681) is 2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid is O=C(Nc1ccc(Br)c(C(=O)O)c1)c1cccc(F)c1.
What is the InChIKey of 2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid?
The InChIKey is NLMJMGOFEVEKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO3/c15-12-5-4-10(7-11(12)14(19)20)17-13(18)8-2-1-3-9(16)6-8/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid?
2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid has a molecular weight of 338.13 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 115295681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).