3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid

C14H8Cl2FNO3 — CID 106703565

IUPAC3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)cc(NC(=O)c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C14H8Cl2FNO3/c15-9-3-8(14(20)21)4-10(6-9)18-13(19)7-1-2-11(16)12(17)5-7/h1-6H,(H,18,19)(H,20,21)
InChIKeyFUOPBFSMBGDKOK-UHFFFAOYSA-N
MW328.13 g/mol
LogP4.08
Rot. Bonds3

About 3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid

3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid (PubChem CID 106703565) has the molecular formula C14H8Cl2FNO3 and a molecular weight of 328.13 g/mol. Its IUPAC name is 3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid
PubChem CID106703565
Molecular FormulaC14H8Cl2FNO3
Molecular Weight328.13 g/mol
Exact Mass326.99
IUPAC Name3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)cc(NC(=O)c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C14H8Cl2FNO3/c15-9-3-8(14(20)21)4-10(6-9)18-13(19)7-1-2-11(16)12(17)5-7/h1-6H,(H,18,19)(H,20,21)
InChIKeyFUOPBFSMBGDKOK-UHFFFAOYSA-N
XLogP4.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-5-[(4-chloro-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

4-chloro-3-fluorobenzoic acid
CID 2736536
2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
CID 60748188
3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
CID 81361883
3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid
CID 81362091
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid
CID 43452757
3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid
CID 107688176
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181
N-(3-carbamothioyl-4-fluorophenyl)-4-chloro-3-fluorobenzamide
CID 107987783
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107988434
N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
CID 107997647

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid?
The IUPAC name of 3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid (CID 106703565) is 3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid is O=C(O)c1cc(Cl)cc(NC(=O)c2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid?
The InChIKey is FUOPBFSMBGDKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO3/c15-9-3-8(14(20)21)4-10(6-9)18-13(19)7-1-2-11(16)12(17)5-7/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid?
3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid has a molecular weight of 328.13 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 106703565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).