3-amino-N-methyl-N-phenylbenzamide

• ChemBase ID: 23366
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=O)(N(c1ccccc1)C)c1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)C(=O)N(c1ccccc1)C
• InChI: InChI=1S/C14H14N2O/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(15)10-11/h2-10H,15H2,1H3
• InChIKey: PKOVFFWYXWEFSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-methyl-N-phenylbenzamide
• IUPAC Traditional name: 3-amino-N-methyl-N-phenylbenzamide
• Synonyms: 3-Amino-N-methyl-N-phenylbenzamide

Database IDs

• MDL Number: MFCD00447047
• PubChem SID: 160986673
• PubChem CID: 759413

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.098451
• LogD (pH = 7.4): 2.1002479
• Log P: 2.1002707
• Molar Refractivity: 69.4078 cm^3
• Polarizability: 25.927572 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 1.659

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%