1-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]cyclopropane-1-carboxamide

• ChemBase ID: 524871
• Molecular Formular: C17H23FN2O
• Molecular Mass: 290.3757232
• Monoisotopic Mass: 290.17944159
• SMILES: C1(CC1)(C(=O)NCCC1N(CCC1)C)c1ccc(cc1)F
• Canonical SMILES: CN1CCCC1CCNC(=O)C1(CC1)c1ccc(cc1)F
• InChI: InChI=1S/C17H23FN2O/c1-20-12-2-3-15(20)8-11-19-16(21)17(9-10-17)13-4-6-14(18)7-5-13/h4-7,15H,2-3,8-12H2,1H3,(H,19,21)
• InChIKey: RTSUXVCVDHHODH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]cyclopropane-1-carboxamide
• Synonyms: 1-(4-fluorophenyl)-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.058781
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.99051607
• LogD (pH = 7.4): 0.40787217
• Log P: 2.349873
• Molar Refractivity: 81.6699 cm^3
• Polarizability: 31.511648 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.78
• LOG S: -2.84
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5