2-{9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl}acetamide

• ChemBase ID: 846111
• Molecular Formular: C18H24FN3O2
• Molecular Mass: 333.4004632
• Monoisotopic Mass: 333.18525524
• SMILES: N1(C(=O)CCC2(C1)CCN(Cc1c(F)cccc1)CC2)CC(=O)N
• Canonical SMILES: NC(=O)CN1CC2(CCN(CC2)Cc2ccccc2F)CCC1=O
• InChI: InChI=1S/C18H24FN3O2/c19-15-4-2-1-3-14(15)11-21-9-7-18(8-10-21)6-5-17(24)22(13-18)12-16(20)23/h1-4H,5-13H2,(H2,20,23)
• InChIKey: MCPZAXHWXDHCTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl}acetamide
• IUPAC Traditional name: 2-{9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl}acetamide
• Synonyms: 2-[9-(2-fluorobenzyl)-3-oxo-2,9-diazaspiro[5.5]undec-2-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.053604
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0746408
• LogD (pH = 7.4): -0.30141574
• Log P: 0.61292857
• Molar Refractivity: 89.886 cm^3
• Polarizability: 34.591854 Å^3
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.85
• LOG S: -2.36
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 4