N-(3-fluorophenyl)-2-{1-methyl-2-oxo-1,2-dihydrospiro[indole-3,3'-piperidine]-1'-yl}-2-oxoacetamide

• ChemBase ID: 406583
• Molecular Formular: C21H20FN3O3
• Molecular Mass: 381.4002032
• Monoisotopic Mass: 381.14886974
• SMILES: C12(C(=O)N(c3c1cccc3)C)CN(C(=O)C(=O)Nc1cc(F)ccc1)CCC2
• Canonical SMILES: Fc1cccc(c1)NC(=O)C(=O)N1CCCC2(C1)C(=O)N(c1c2cccc1)C
• InChI: InChI=1S/C21H20FN3O3/c1-24-17-9-3-2-8-16(17)21(20(24)28)10-5-11-25(13-21)19(27)18(26)23-15-7-4-6-14(22)12-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,23,26)
• InChIKey: BRQZKUNWFDGUQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-fluorophenyl)-2-{1-methyl-2-oxo-1,2-dihydrospiro[indole-3,3'-piperidine]-1'-yl}-2-oxoacetamide
• IUPAC Traditional name: N-(3-fluorophenyl)-2-{1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl}-2-oxoacetamide
• Synonyms: N-(3-fluorophenyl)-2-(1-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,3'-piperidin]-1'-yl)-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.972713
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.197619
• LogD (pH = 7.4): 2.19751
• Log P: 2.1976204
• Molar Refractivity: 102.707 cm^3
• Polarizability: 38.340115 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.48
• LOG S: -4.1
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 2