2-(2-aminophenyl)-N-phenylacetamide

• ChemBase ID: 256251
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=O)(Nc1ccccc1)Cc1c(N)cccc1
• Canonical SMILES: O=C(Cc1ccccc1N)Nc1ccccc1
• InChI: InChI=1S/C14H14N2O/c15-13-9-5-4-6-11(13)10-14(17)16-12-7-2-1-3-8-12/h1-9H,10,15H2,(H,16,17)
• InChIKey: APUJLXFMSZXCOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminophenyl)-N-phenylacetamide
• IUPAC Traditional name: 2-(2-aminophenyl)-N-phenylacetamide
• Synonyms: 2-(2-aminophenyl)-N-phenylacetamide

Database IDs

• MDL Number: MFCD09045819
• PubChem SID: 164312161
• PubChem CID: 16773466

CALCULATED PROPERTIES

• Acid pKa: 13.976627
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2107584
• LogD (pH = 7.4): 2.2162988
• Log P: 2.21637
• Molar Refractivity: 70.3433 cm^3
• Polarizability: 25.952145 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.422

Product Information

• Purity: 95%