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

C14H9ClFNO3 — CID 43386528

IUPAC4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H9ClFNO3/c15-11-7-10(5-6-12(11)16)17-13(18)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyIEZBQHNBRWBFNV-UHFFFAOYSA-N
MW293.68 g/mol
LogP3.43
Rot. Bonds3

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

4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid (PubChem CID 43386528) has the molecular formula C14H9ClFNO3 and a molecular weight of 293.68 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
PubChem CID43386528
Molecular FormulaC14H9ClFNO3
Molecular Weight293.68 g/mol
Exact Mass293.03
IUPAC Name4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H9ClFNO3/c15-11-7-10(5-6-12(11)16)17-13(18)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyIEZBQHNBRWBFNV-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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide
CID 51191615
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043948
N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691150
1-N-butyl-4-N-(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043761
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
CID 60748188

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid (CID 43386528) is 4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid?
The InChIKey is IEZBQHNBRWBFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO3/c15-11-7-10(5-6-12(11)16)17-13(18)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid?
4-[(3-chloro-4-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-4-fluorophenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 43386528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).