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

C15H12FNO3 — CID 43397101

IUPAC2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C15H12FNO3/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyDPVLQNPEJIVBOD-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.45
Rot. Bonds4

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

2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid (PubChem CID 43397101) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
PubChem CID43397101
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C15H12FNO3/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyDPVLQNPEJIVBOD-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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Related Compounds

2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
CID 7407568
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 18152498
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62247960
3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 175327917
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]benzoic acid
CID 60933200

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid (CID 43397101) is 2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid?
The InChIKey is DPVLQNPEJIVBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid?
2-[(2-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-[(2-fluorophenyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 43397101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).