2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid

C20H16N2O3 — CID 759757

IUPAC2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C20H16N2O3/c23-19(22-13-14-6-5-11-21-12-14)17-9-3-1-7-15(17)16-8-2-4-10-18(16)20(24)25/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKeyNQERCRFLQJTBBY-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.38
Rot. Bonds5

About 2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid

2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid (PubChem CID 759757) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid
PubChem CID759757
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C20H16N2O3/c23-19(22-13-14-6-5-11-21-12-14)17-9-3-1-7-15(17)16-8-2-4-10-18(16)20(24)25/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKeyNQERCRFLQJTBBY-UHFFFAOYSA-N
XLogP3.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid (CID 759757) is 2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid?
The InChIKey is NQERCRFLQJTBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-19(22-13-14-6-5-11-21-12-14)17-9-3-1-7-15(17)16-8-2-4-10-18(16)20(24)25/h1-12H,13H2,(H,22,23)(H,24,25).
What are the key properties of 2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid?
2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid has a molecular weight of 332.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzoic acid is sourced from PubChem (CID 759757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).