2-[(3,4-difluorophenyl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 621014
• Molecular Formular: C19H25F2N3O2
• Molecular Mass: 365.4175064
• Monoisotopic Mass: 365.1914835
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)NCCC)CC2)Cc1cc(c(cc1)F)F
• Canonical SMILES: CCCNC(=O)N1CCC2(CC1)CC(=O)N(C2)Cc1ccc(c(c1)F)F
• InChI: InChI=1S/C19H25F2N3O2/c1-2-7-22-18(26)23-8-5-19(6-9-23)11-17(25)24(13-19)12-14-3-4-15(20)16(21)10-14/h3-4,10H,2,5-9,11-13H2,1H3,(H,22,26)
• InChIKey: FNCZYSHXHSWTMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3,4-difluorophenyl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: 2-[(3,4-difluorophenyl)methyl]-3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-carboxamide
• Synonyms: 2-(3,4-difluorobenzyl)-3-oxo-N-propyl-2,8-diazaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.217326
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6363759
• LogD (pH = 7.4): 1.6363764
• Log P: 1.6363764
• Molar Refractivity: 94.7118 cm^3
• Polarizability: 35.7782 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.5
• LOG S: -4.0
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4