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

C14H10FNO3 — CID 43386513

IUPAC4-[(2-fluorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C14H10FNO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKeyOUBBTURJIIMRNW-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.78
Rot. Bonds3

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

4-[(2-fluorophenyl)carbamoyl]benzoic acid (PubChem CID 43386513) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)carbamoyl]benzoic acid
PubChem CID43386513
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name4-[(2-fluorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C14H10FNO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKeyOUBBTURJIIMRNW-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(2-fluorophenyl)carbamoyl]benzoic acid (CID 43386513) is 4-[(2-fluorophenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(2-fluorophenyl)carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)carbamoyl]benzoic acid?
The InChIKey is OUBBTURJIIMRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8H,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-fluorophenyl)carbamoyl]benzoic acid?
4-[(2-fluorophenyl)carbamoyl]benzoic acid has a molecular weight of 259.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 43386513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).