2-{4-[(4-fluorophenyl)methyl]-2,5-dioxo-4-(piperidin-4-yl)imidazolidin-1-yl}-N-methylacetamide

• ChemBase ID: 346157
• Molecular Formular: C18H23FN4O3
• Molecular Mass: 362.3986232
• Monoisotopic Mass: 362.17541884
• SMILES: N1(C(=O)NC(C1=O)(Cc1ccc(F)cc1)C1CCNCC1)CC(=O)NC
• Canonical SMILES: CNC(=O)CN1C(=O)NC(C1=O)(Cc1ccc(cc1)F)C1CCNCC1
• InChI: InChI=1S/C18H23FN4O3/c1-20-15(24)11-23-16(25)18(22-17(23)26,13-6-8-21-9-7-13)10-12-2-4-14(19)5-3-12/h2-5,13,21H,6-11H2,1H3,(H,20,24)(H,22,26)
• InChIKey: ZJGCWWSXXVAOQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[(4-fluorophenyl)methyl]-2,5-dioxo-4-(piperidin-4-yl)imidazolidin-1-yl}-N-methylacetamide
• IUPAC Traditional name: 2-{4-[(4-fluorophenyl)methyl]-2,5-dioxo-4-(piperidin-4-yl)imidazolidin-1-yl}-N-methylacetamide
• Synonyms: 2-[4-(4-fluorobenzyl)-2,5-dioxo-4-piperidin-4-ylimidazolidin-1-yl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.886773
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.0047956
• LogD (pH = 7.4): -2.334375
• Log P: -0.19751665
• Molar Refractivity: 93.0147 cm^3
• Polarizability: 35.865494 Å^3
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.65
• LOG S: -2.4
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 5