N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 504857
• Molecular Formular: C24H29FN4O2
• Molecular Mass: 424.5110632
• Monoisotopic Mass: 424.22745441
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N(C2CN(Cc3c(F)cccc3)CCC2)C)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)N(C1CCCN(C1)Cc1ccccc1F)C
• InChI: InChI=1S/C24H29FN4O2/c1-17-9-10-18(14-22(17)29-13-11-26-24(29)31)23(30)27(2)20-7-5-12-28(16-20)15-19-6-3-4-8-21(19)25/h3-4,6,8-10,14,20H,5,7,11-13,15-16H2,1-2H3,(H,26,31)
• InChIKey: MTKXDIRRSFTZQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,4-dimethyl-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.584643
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1215513
• LogD (pH = 7.4): 2.685438
• Log P: 2.9564257
• Molar Refractivity: 119.6136 cm^3
• Polarizability: 44.99514 Å^3
• Polar Surface Area: 55.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.29
• LOG S: -5.07
• Polar Surface Area: 55.89 Å^2
• Rotatable Bonds: 5