N-benzyl-2-chloro-N-phenylbenzamide

• ChemBase ID: 301054
• Molecular Formular: C20H16ClNO
• Molecular Mass: 321.80014
• Monoisotopic Mass: 321.09204182
• SMILES: C(c1ccccc1)N(C(=O)c1c(cccc1)Cl)c1ccccc1
• Canonical SMILES: Clc1ccccc1C(=O)N(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C20H16ClNO/c21-19-14-8-7-13-18(19)20(23)22(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2
• InChIKey: OWBLYVPLNRYXED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-chloro-N-phenylbenzamide
• IUPAC Traditional name: N-benzyl-2-chloro-N-phenylbenzamide
• Synonyms: N-Benzyl-2-chloro-N-phenylbenzamide

Database IDs

• CAS Number: 500873-57-4
• MDL Number: MFCD03731396

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2577143
• LogD (pH = 7.4): 5.2577143
• Log P: 5.2577143
• Molar Refractivity: 94.1248 cm^3
• Polarizability: 36.26414 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%