N-benzyl-4-fluoro-N-phenylbenzamide

• ChemBase ID: 300297
• Molecular Formular: C20H16FNO
• Molecular Mass: 305.3455432
• Monoisotopic Mass: 305.12159236
• SMILES: C(c1ccccc1)N(C(=O)c1ccc(cc1)F)c1ccccc1
• Canonical SMILES: Fc1ccc(cc1)C(=O)N(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C20H16FNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1-14H,15H2
• InChIKey: KIKKVFRJNFUBJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4-fluoro-N-phenylbenzamide
• IUPAC Traditional name: N-benzyl-4-fluoro-N-phenylbenzamide
• Synonyms: N-Benzyl-N-phenyl-4-fluorobenzamide

Database IDs

• CAS Number: 701918-27-6
• MDL Number: MFCD00300939

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.796372
• LogD (pH = 7.4): 4.796372
• Log P: 4.796372
• Molar Refractivity: 89.5364 cm^3
• Polarizability: 34.021667 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%