4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid

C14H8BrClFNO3 — CID 114558539

IUPAC4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2c(F)cccc2Br)c(Cl)c1
InChIInChI=1S/C14H8BrClFNO3/c15-8-2-1-3-10(17)12(8)13(19)18-11-5-4-7(14(20)21)6-9(11)16/h1-6H,(H,18,19)(H,20,21)
InChIKeyPLCQGICOIJOWOH-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.19
Rot. Bonds3

About 4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid

4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid (PubChem CID 114558539) has the molecular formula C14H8BrClFNO3 and a molecular weight of 372.58 g/mol. Its IUPAC name is 4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid.

Molecular Properties

Compound Name4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid
PubChem CID114558539
Molecular FormulaC14H8BrClFNO3
Molecular Weight372.58 g/mol
Exact Mass370.94
IUPAC Name4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2c(F)cccc2Br)c(Cl)c1
InChIInChI=1S/C14H8BrClFNO3/c15-8-2-1-3-10(17)12(8)13(19)18-11-5-4-7(14(20)21)6-9(11)16/h1-6H,(H,18,19)(H,20,21)
InChIKeyPLCQGICOIJOWOH-UHFFFAOYSA-N
XLogP4.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic 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

2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
CID 115678082
4-[(3-bromo-2-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107949226
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide
CID 103891179
2-bromo-N-(4-carbamothioyl-2-fluorophenyl)-6-fluorobenzamide
CID 114559284
2-[(3-bromo-4-chlorobenzoyl)amino]-6-fluorobenzoic acid
CID 107997743
2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide
CID 115678377
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 114558352
2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
CID 113250689
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
3-chloro-4-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343365

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid?
The IUPAC name of 4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid (CID 114558539) is 4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid.
What is the SMILES notation for 4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid?
The canonical SMILES for 4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid is O=C(O)c1ccc(NC(=O)c2c(F)cccc2Br)c(Cl)c1.
What is the InChIKey of 4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid?
The InChIKey is PLCQGICOIJOWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFNO3/c15-8-2-1-3-10(17)12(8)13(19)18-11-5-4-7(14(20)21)6-9(11)16/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid?
4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid has a molecular weight of 372.58 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid is sourced from PubChem (CID 114558539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).