N-(2-{1-[3-(2,4-difluorophenyl)propanoyl]piperidin-2-yl}ethyl)acetamide

• ChemBase ID: 713881
• Molecular Formular: C18H24F2N2O2
• Molecular Mass: 338.3921664
• Monoisotopic Mass: 338.18058446
• SMILES: N1(C(=O)CCc2c(cc(cc2)F)F)C(CCNC(=O)C)CCCC1
• Canonical SMILES: CC(=O)NCCC1CCCCN1C(=O)CCc1ccc(cc1F)F
• InChI: InChI=1S/C18H24F2N2O2/c1-13(23)21-10-9-16-4-2-3-11-22(16)18(24)8-6-14-5-7-15(19)12-17(14)20/h5,7,12,16H,2-4,6,8-11H2,1H3,(H,21,23)
• InChIKey: VGEPLSIILRCVJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{1-[3-(2,4-difluorophenyl)propanoyl]piperidin-2-yl}ethyl)acetamide
• IUPAC Traditional name: N-(2-{1-[3-(2,4-difluorophenyl)propanoyl]piperidin-2-yl}ethyl)acetamide
• Synonyms: N-(2-{1-[3-(2,4-difluorophenyl)propanoyl]-2-piperidinyl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.275431
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9733315
• LogD (pH = 7.4): 1.9733319
• Log P: 1.9733319
• Molar Refractivity: 88.0862 cm^3
• Polarizability: 33.507015 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.08
• LOG S: -3.44
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6