N-[3-(2-fluorophenyl)propyl]-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase ID: 842418
• Molecular Formular: C17H23FN2O
• Molecular Mass: 290.3757232
• Monoisotopic Mass: 290.17944159
• SMILES: C12(C(C1)C(=O)NCCCc1c(F)cccc1)CCNCC2
• Canonical SMILES: O=C(C1CC21CCNCC2)NCCCc1ccccc1F
• InChI: InChI=1S/C17H23FN2O/c18-15-6-2-1-4-13(15)5-3-9-20-16(21)14-12-17(14)7-10-19-11-8-17/h1-2,4,6,14,19H,3,5,7-12H2,(H,20,21)
• InChIKey: OAZOUCVZWMSKAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-fluorophenyl)propyl]-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: N-[3-(2-fluorophenyl)propyl]-6-azaspiro[2.5]octane-1-carboxamide
• Synonyms: N-[3-(2-fluorophenyl)propyl]-6-azaspiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.203237
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1993879
• LogD (pH = 7.4): -0.5134728
• Log P: 2.020711
• Molar Refractivity: 81.2007 cm^3
• Polarizability: 31.51375 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.95
• LOG S: -2.98
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5