4-(chloromethyl)-N-methyl-N-phenylbenzamide

• ChemBase ID: 301785
• Molecular Formular: C15H14ClNO
• Molecular Mass: 259.73076
• Monoisotopic Mass: 259.07639175
• SMILES: ClCc1ccc(C(=O)N(c2ccccc2)C)cc1
• Canonical SMILES: ClCc1ccc(cc1)C(=O)N(c1ccccc1)C
• InChI: InChI=1S/C15H14ClNO/c1-17(14-5-3-2-4-6-14)15(18)13-9-7-12(11-16)8-10-13/h2-10H,11H2,1H3
• InChIKey: NLYKBQJABURMAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-N-methyl-N-phenylbenzamide
• IUPAC Traditional name: 4-(chloromethyl)-N-methyl-N-phenylbenzamide
• Synonyms: 4-Chloromethyl-N-methyl-N-phenylbenzamide

Database IDs

• MDL Number: MFCD11544442

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5164387
• LogD (pH = 7.4): 3.5164387
• Log P: 3.5164387
• Molar Refractivity: 74.5743 cm^3
• Polarizability: 28.428377 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

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%