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

C15H12FNO3 — CID 3240677

IUPAC2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H12FNO3/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyXUHAISADKOVUOI-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.45
Rot. Bonds4

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

2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid (PubChem CID 3240677) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid
PubChem CID3240677
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H12FNO3/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyXUHAISADKOVUOI-UHFFFAOYSA-N
XLogP2.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid (CID 3240677) is 2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid?
The InChIKey is XUHAISADKOVUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid?
2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid has a molecular weight of 273.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 3240677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).