2-[3-(4-phenylphenyl)propanoylamino]benzoic acid

C22H19NO3 — CID 11617151

IUPAC2-[3-(4-phenylphenyl)propanoylamino]benzoic acid
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C22H19NO3/c24-21(23-20-9-5-4-8-19(20)22(25)26)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-11,13-14H,12,15H2,(H,23,24)(H,25,26)
InChIKeyCAYOKBAXZPGNTO-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.62
Rot. Bonds6

About 2-[3-(4-phenylphenyl)propanoylamino]benzoic acid

2-[3-(4-phenylphenyl)propanoylamino]benzoic acid (PubChem CID 11617151) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[3-(4-phenylphenyl)propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-(4-phenylphenyl)propanoylamino]benzoic acid
PubChem CID11617151
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-[3-(4-phenylphenyl)propanoylamino]benzoic acid
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C22H19NO3/c24-21(23-20-9-5-4-8-19(20)22(25)26)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-11,13-14H,12,15H2,(H,23,24)(H,25,26)
InChIKeyCAYOKBAXZPGNTO-UHFFFAOYSA-N
XLogP4.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylphenyl)propanoylamino]benzoic acid?
The IUPAC name of 2-[3-(4-phenylphenyl)propanoylamino]benzoic acid (CID 11617151) is 2-[3-(4-phenylphenyl)propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-(4-phenylphenyl)propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-(4-phenylphenyl)propanoylamino]benzoic acid is O=C(CCc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-(4-phenylphenyl)propanoylamino]benzoic acid?
The InChIKey is CAYOKBAXZPGNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-21(23-20-9-5-4-8-19(20)22(25)26)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-11,13-14H,12,15H2,(H,23,24)(H,25,26).
What are the key properties of 2-[3-(4-phenylphenyl)propanoylamino]benzoic acid?
2-[3-(4-phenylphenyl)propanoylamino]benzoic acid has a molecular weight of 345.40 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylphenyl)propanoylamino]benzoic acid is sourced from PubChem (CID 11617151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).