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

• ChemBase ID: 714150
• Molecular Formular: C16H19Cl2N3O2
• Molecular Mass: 356.24696
• Monoisotopic Mass: 355.08543222
• SMILES: C(=O)(N1CCC2(CC(=O)NC2)CC1)NCc1c(cc(cc1)Cl)Cl
• Canonical SMILES: O=C1NCC2(C1)CCN(CC2)C(=O)NCc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C16H19Cl2N3O2/c17-12-2-1-11(13(18)7-12)9-19-15(23)21-5-3-16(4-6-21)8-14(22)20-10-16/h1-2,7H,3-6,8-10H2,(H,19,23)(H,20,22)
• InChIKey: OVUIBFSOPSDETO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.541797
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4560553
• LogD (pH = 7.4): 1.4560552
• Log P: 1.4560554
• Molar Refractivity: 89.7193 cm^3
• Polarizability: 34.664112 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.56
• LOG S: -3.13
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2