N-cyclopentyl-2,6-difluorobenzamide

• ChemBase ID: 301055
• Molecular Formular: C12H13F2NO
• Molecular Mass: 225.2345264
• Monoisotopic Mass: 225.09652048
• SMILES: c1cc(c(c(c1)F)C(=O)NC1CCCC1)F
• Canonical SMILES: O=C(c1c(F)cccc1F)NC1CCCC1
• InChI: InChI=1S/C12H13F2NO/c13-9-6-3-7-10(14)11(9)12(16)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,15,16)
• InChIKey: NRDHNIDKGYCTTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2,6-difluorobenzamide
• IUPAC Traditional name: N-cyclopentyl-2,6-difluorobenzamide
• Synonyms: N-Cyclopentyl-2,6-difluorobenzamide

Database IDs

• MDL Number: MFCD03551076

CALCULATED PROPERTIES

• Acid pKa: 11.840193
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6876676
• LogD (pH = 7.4): 2.687654
• Log P: 2.6876678
• Molar Refractivity: 56.8791 cm^3
• Polarizability: 21.059492 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%