N-(4-amino-2-methylphenyl)-2-phenylacetamide

• ChemBase ID: 23043
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: C(=O)(Nc1c(cc(N)cc1)C)Cc1ccccc1
• Canonical SMILES: O=C(Nc1ccc(cc1C)N)Cc1ccccc1
• InChI: InChI=1S/C15H16N2O/c1-11-9-13(16)7-8-14(11)17-15(18)10-12-5-3-2-4-6-12/h2-9H,10,16H2,1H3,(H,17,18)
• InChIKey: NTBLDANBEAWSIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-2-methylphenyl)-2-phenylacetamide
• IUPAC Traditional name: N-(4-amino-2-methylphenyl)-2-phenylacetamide
• Synonyms: N-(4-Amino-2-methylphenyl)-2-phenylacetamide

Database IDs

• MDL Number: MFCD01930134
• PubChem SID: 160986350
• PubChem CID: 960658

CALCULATED PROPERTIES

• Acid pKa: 15.90255
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7083178
• LogD (pH = 7.4): 2.7295144
• Log P: 2.7297914
• Molar Refractivity: 75.3845 cm^3
• Polarizability: 27.717697 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