4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid

C14H9ClFNO3 — CID 43452947

IUPAC4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cccc(Cl)c2F)cc1
InChIInChI=1S/C14H9ClFNO3/c15-10-2-1-3-11(12(10)16)17-13(18)8-4-6-9(7-5-8)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyXAWANDSWXILNKO-UHFFFAOYSA-N
MW293.68 g/mol
LogP3.43
Rot. Bonds3

About 4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid

4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid (PubChem CID 43452947) has the molecular formula C14H9ClFNO3 and a molecular weight of 293.68 g/mol. Its IUPAC name is 4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
PubChem CID43452947
Molecular FormulaC14H9ClFNO3
Molecular Weight293.68 g/mol
Exact Mass293.03
IUPAC Name4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cccc(Cl)c2F)cc1
InChIInChI=1S/C14H9ClFNO3/c15-10-2-1-3-11(12(10)16)17-13(18)8-4-6-9(7-5-8)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyXAWANDSWXILNKO-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(3-chloro-2-fluorophenyl)carbamoyl]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-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532988
N-(3-chloro-2-fluorophenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 75420058
N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide
CID 63187023
(3-chloro-2-fluorophenyl)urea
CID 28969166
2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 55041638
5-bromo-N-(3-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 9145915
N-(2,3-difluorophenyl)benzamide
CID 139202270
4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 25352298
N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9090103
4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide
CID 60628960

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid (CID 43452947) is 4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2cccc(Cl)c2F)cc1.
What is the InChIKey of 4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid?
The InChIKey is XAWANDSWXILNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO3/c15-10-2-1-3-11(12(10)16)17-13(18)8-4-6-9(7-5-8)14(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid?
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid has a molecular weight of 293.68 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 43452947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).