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

C14H8BrF2NO3 — CID 81498319

IUPAC2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1NC(=O)c1cccc(F)c1Br
InChIInChI=1S/C14H8BrF2NO3/c15-12-9(2-1-3-10(12)17)13(19)18-11-6-7(16)4-5-8(11)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyYPWSGYXSPPCOTC-UHFFFAOYSA-N
MW356.12 g/mol
LogP3.68
Rot. Bonds3

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

2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid (PubChem CID 81498319) has the molecular formula C14H8BrF2NO3 and a molecular weight of 356.12 g/mol. Its IUPAC name is 2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
PubChem CID81498319
Molecular FormulaC14H8BrF2NO3
Molecular Weight356.12 g/mol
Exact Mass354.97
IUPAC Name2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1NC(=O)c1cccc(F)c1Br
InChIInChI=1S/C14H8BrF2NO3/c15-12-9(2-1-3-10(12)17)13(19)18-11-6-7(16)4-5-8(11)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyYPWSGYXSPPCOTC-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

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

4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid
CID 16773060
2-[(3-bromophenyl)carbamoylamino]-4-fluorobenzoic acid
CID 61189999
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
2-[(2-bromo-3-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046859
2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
CID 67343264
2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 62239394
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595178

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid (CID 81498319) is 2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1NC(=O)c1cccc(F)c1Br.
What is the InChIKey of 2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid?
The InChIKey is YPWSGYXSPPCOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2NO3/c15-12-9(2-1-3-10(12)17)13(19)18-11-6-7(16)4-5-8(11)14(20)21/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid?
2-[(2-bromo-3-fluorobenzoyl)amino]-4-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-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 81498319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).