N-phenyl-2-(phenylamino)acetamide

• ChemBase ID: 252284
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=O)(Nc1ccccc1)CNc1ccccc1
• Canonical SMILES: O=C(Nc1ccccc1)CNc1ccccc1
• InChI: InChI=1S/C14H14N2O/c17-14(16-13-9-5-2-6-10-13)11-15-12-7-3-1-4-8-12/h1-10,15H,11H2,(H,16,17)
• InChIKey: GHNHEWYCTRNGGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-2-(phenylamino)acetamide
• IUPAC Traditional name: N-phenyl-2-(phenylamino)acetamide
• Synonyms: 2-anilino-N-phenylacetamide

Database IDs

• CAS Number: 4951-20-6
• MDL Number: MFCD00965324
• PubChem SID: 164308194
• PubChem CID: 2326710

CALCULATED PROPERTIES

• Acid pKa: 13.4665985
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3579156
• LogD (pH = 7.4): 2.3583038
• Log P: 2.358309
• Molar Refractivity: 70.6137 cm^3
• Polarizability: 25.954613 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.392

Product Information

• Purity: 95%