N-benzyl-2,6-difluoro-N-phenylbenzamide

• ChemBase ID: 301071
• Molecular Formular: C20H15F2NO
• Molecular Mass: 323.3360064
• Monoisotopic Mass: 323.11217055
• SMILES: C(c1ccccc1)N(C(=O)c1c(cccc1F)F)c1ccccc1
• Canonical SMILES: Fc1cccc(c1C(=O)N(c1ccccc1)Cc1ccccc1)F
• InChI: InChI=1S/C20H15F2NO/c21-17-12-7-13-18(22)19(17)20(24)23(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-13H,14H2
• InChIKey: GPQFSRTYCAFMCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2,6-difluoro-N-phenylbenzamide
• IUPAC Traditional name: N-benzyl-2,6-difluoro-N-phenylbenzamide
• Synonyms: N-Benzyl-2,6-difluoro-N-phenylbenzamide

Database IDs

• MDL Number: MFCD22683100

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.9390736
• LogD (pH = 7.4): 4.9390736
• Log P: 4.9390736
• Molar Refractivity: 89.7528 cm^3
• Polarizability: 33.675503 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• 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%