2,6-difluoro-N-(2-fluoro-5-methylphenyl)benzamide

• ChemBase ID: 300808
• Molecular Formular: C14H10F3NO
• Molecular Mass: 265.2305096
• Monoisotopic Mass: 265.07144861
• SMILES: Cc1ccc(c(c1)NC(=O)c1c(cccc1F)F)F
• Canonical SMILES: Cc1ccc(c(c1)NC(=O)c1c(F)cccc1F)F
• InChI: InChI=1S/C14H10F3NO/c1-8-5-6-9(15)12(7-8)18-14(19)13-10(16)3-2-4-11(13)17/h2-7H,1H3,(H,18,19)
• InChIKey: OHLQYJFUNIXAAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-N-(2-fluoro-5-methylphenyl)benzamide
• IUPAC Traditional name: 2,6-difluoro-N-(2-fluoro-5-methylphenyl)benzamide
• Synonyms: 2,6-Difluoro-N-(2-fluoro-5-methylphenyl)benzamide

Database IDs

• MDL Number: MFCD09072119

CALCULATED PROPERTIES

• Acid pKa: 9.926344
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.0066423
• LogD (pH = 7.4): 4.0054317
• Log P: 4.0066576
• Molar Refractivity: 67.2819 cm^3
• Polarizability: 23.825794 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%