2-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 578397
• Molecular Formular: C18H23F2N3O2
• Molecular Mass: 351.3909264
• Monoisotopic Mass: 351.17583343
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)N(C)C)CC2)Cc1cc(cc(c1)F)F
• Canonical SMILES: Fc1cc(cc(c1)F)CN1CC2(CC1=O)CCN(CC2)C(=O)N(C)C
• InChI: InChI=1S/C18H23F2N3O2/c1-21(2)17(25)22-5-3-18(4-6-22)10-16(24)23(12-18)11-13-7-14(19)9-15(20)8-13/h7-9H,3-6,10-12H2,1-2H3
• InChIKey: OODHGEWLJQFOCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: 2-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
• Synonyms: 2-(3,5-difluorobenzyl)-N,N-dimethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9807218
• LogD (pH = 7.4): 0.98072207
• Log P: 0.98072207
• Molar Refractivity: 90.3359 cm^3
• Polarizability: 33.954952 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.95
• LOG S: -3.43
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2