2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide

• ChemBase ID: 300906
• Molecular Formular: C14H11F2NO
• Molecular Mass: 247.2400464
• Monoisotopic Mass: 247.08087042
• SMILES: Cc1c(cccc1F)NC(=O)c1ccccc1F
• Canonical SMILES: Cc1c(cccc1F)NC(=O)c1ccccc1F
• InChI: InChI=1S/C14H11F2NO/c1-9-11(15)7-4-8-13(9)17-14(18)10-5-2-3-6-12(10)16/h2-8H,1H3,(H,17,18)
• InChIKey: UFXCYYWFCZGEHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
• IUPAC Traditional name: 2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
• Synonyms: 2-Fluoro-N-(3-fluoro-2-methylphenyl)benzamide

Database IDs

• CAS Number: 1283340-25-9
• MDL Number: MFCD16428102

CALCULATED PROPERTIES

• Acid pKa: 12.181583
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8639557
• LogD (pH = 7.4): 3.863949
• Log P: 3.863956
• Molar Refractivity: 67.0655 cm^3
• Polarizability: 24.057085 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%