N-(3-cyclopentylpropyl)-2-(dimethylamino)-2-(2-fluorophenyl)acetamide

• ChemBase ID: 751641
• Molecular Formular: C18H27FN2O
• Molecular Mass: 306.4181832
• Monoisotopic Mass: 306.21074171
• SMILES: c1(C(C(=O)NCCCC2CCCC2)N(C)C)c(F)cccc1
• Canonical SMILES: CN(C(c1ccccc1F)C(=O)NCCCC1CCCC1)C
• InChI: InChI=1S/C18H27FN2O/c1-21(2)17(15-11-5-6-12-16(15)19)18(22)20-13-7-10-14-8-3-4-9-14/h5-6,11-12,14,17H,3-4,7-10,13H2,1-2H3,(H,20,22)
• InChIKey: ZKSARGAEPBDBCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-cyclopentylpropyl)-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
• IUPAC Traditional name: N-(3-cyclopentylpropyl)-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
• Synonyms: N-(3-cyclopentylpropyl)-2-(dimethylamino)-2-(2-fluorophenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.658719
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8351028
• LogD (pH = 7.4): 3.6160293
• Log P: 3.6449158
• Molar Refractivity: 87.7889 cm^3
• Polarizability: 34.076283 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.14
• LOG S: -4.97
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7