N-benzyl-3-methyl-N-phenylbenzamide

• ChemBase ID: 300659
• Molecular Formular: C21H19NO
• Molecular Mass: 301.38166
• Monoisotopic Mass: 301.14666423
• SMILES: C(c1ccccc1)N(C(=O)c1cc(ccc1)C)c1ccccc1
• Canonical SMILES: Cc1cccc(c1)C(=O)N(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C21H19NO/c1-17-9-8-12-19(15-17)21(23)22(20-13-6-3-7-14-20)16-18-10-4-2-5-11-18/h2-15H,16H2,1H3
• InChIKey: LYTYTKCRBQDDKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-methyl-N-phenylbenzamide
• IUPAC Traditional name: N-benzyl-3-methyl-N-phenylbenzamide
• Synonyms: N-Benzyl-N-phenyl-3-methylbenzamide

Database IDs

• MDL Number: MFCD22683065

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1670914
• LogD (pH = 7.4): 5.1670914
• Log P: 5.1670914
• Molar Refractivity: 94.3612 cm^3
• Polarizability: 36.20164 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%