2,6-difluoro-N-phenylbenzamide

• ChemBase ID: 300328
• Molecular Formular: C13H9F2NO
• Molecular Mass: 233.2134664
• Monoisotopic Mass: 233.06522035
• SMILES: c1ccc(cc1)NC(=O)c1c(cccc1F)F
• Canonical SMILES: O=C(c1c(F)cccc1F)Nc1ccccc1
• InChI: InChI=1S/C13H9F2NO/c14-10-7-4-8-11(15)12(10)13(17)16-9-5-2-1-3-6-9/h1-8H,(H,16,17)
• InChIKey: AIKOEZLWSYWGMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01121999

CALCULATED PROPERTIES

• Acid pKa: 11.345729
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.350534
• LogD (pH = 7.4): 3.3504877
• Log P: 3.3505344
• Molar Refractivity: 62.0243 cm^3
• Polarizability: 22.301176 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• 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%