N-benzyl-4-(chloromethyl)-N-phenylbenzamide

• ChemBase ID: 301518
• Molecular Formular: C21H18ClNO
• Molecular Mass: 335.82672
• Monoisotopic Mass: 335.10769188
• SMILES: C(c1ccccc1)N(C(=O)c1ccc(cc1)CCl)c1ccccc1
• Canonical SMILES: ClCc1ccc(cc1)C(=O)N(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C21H18ClNO/c22-15-17-11-13-19(14-12-17)21(24)23(20-9-5-2-6-10-20)16-18-7-3-1-4-8-18/h1-14H,15-16H2
• InChIKey: ITWJOMOXAADOGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4-(chloromethyl)-N-phenylbenzamide
• IUPAC Traditional name: N-benzyl-4-(chloromethyl)-N-phenylbenzamide
• Synonyms: N-Benzyl-4-(chloromethyl)-N-phenylbenzamide

Database IDs

• MDL Number: MFCD22683138

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.240912
• LogD (pH = 7.4): 5.240912
• Log P: 5.240912
• Molar Refractivity: 99.1869 cm^3
• Polarizability: 38.038082 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• 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%