2-[4-(5-fluoropentyl)phenyl]-2-methylpropanamide

• ChemBase ID: 688215
• Molecular Formular: C15H22FNO
• Molecular Mass: 251.3396832
• Monoisotopic Mass: 251.16854255
• SMILES: C(C(=O)N)(c1ccc(cc1)CCCCCF)(C)C
• Canonical SMILES: FCCCCCc1ccc(cc1)C(C(=O)N)(C)C
• InChI: InChI=1S/C15H22FNO/c1-15(2,14(17)18)13-9-7-12(8-10-13)6-4-3-5-11-16/h7-10H,3-6,11H2,1-2H3,(H2,17,18)
• InChIKey: RHOXQUYLNNJFPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(5-fluoropentyl)phenyl]-2-methylpropanamide
• IUPAC Traditional name: 2-[4-(5-fluoropentyl)phenyl]-2-methylpropanamide
• Synonyms: 2-[4-(5-fluoropentyl)phenyl]-2-methylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.501726
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6491613
• LogD (pH = 7.4): 3.6491613
• Log P: 3.6491613
• Molar Refractivity: 71.9451 cm^3
• Polarizability: 27.706476 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 2.95
• LOG S: -3.55
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 7