N-(4-aminophenyl)-2-phenylacetamide

• ChemBase ID: 22864
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=O)(Nc1ccc(N)cc1)Cc1ccccc1
• Canonical SMILES: O=C(Cc1ccccc1)Nc1ccc(cc1)N
• InChI: InChI=1S/C14H14N2O/c15-12-6-8-13(9-7-12)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,16,17)
• InChIKey: LLIVNUAEZMDIOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-2-phenylacetamide
• IUPAC Traditional name: N-(4-aminophenyl)-2-phenylacetamide
• Synonyms: N-(4-Aminophenyl)-2-phenylacetamide

Database IDs

• MDL Number: MFCD03906887
• PubChem SID: 160986171
• PubChem CID: 960657

CALCULATED PROPERTIES

• Acid pKa: 15.600717
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2035105
• LogD (pH = 7.4): 2.2162058
• Log P: 2.21637
• Molar Refractivity: 70.3433 cm^3
• Polarizability: 25.951014 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false