5-[1-(3-chlorobenzoyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione

• ChemBase ID: 497251
• Molecular Formular: C23H23ClFN3O3
• Molecular Mass: 443.8984232
• Monoisotopic Mass: 443.14119751
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2cc(Cl)ccc2)CC1)C)Cc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CN1C(=O)NC(C1=O)(C)C1CCN(CC1)C(=O)c1cccc(c1)Cl
• InChI: InChI=1S/C23H23ClFN3O3/c1-23(21(30)28(22(31)26-23)14-15-5-7-19(25)8-6-15)17-9-11-27(12-10-17)20(29)16-3-2-4-18(24)13-16/h2-8,13,17H,9-12,14H2,1H3,(H,26,31)
• InChIKey: DZBQXHVMZZNATB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(3-chlorobenzoyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-[1-(3-chlorobenzoyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
• Synonyms: 5-[1-(3-chlorobenzoyl)-4-piperidinyl]-3-(4-fluorobenzyl)-5-methyl-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.459413
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4578683
• LogD (pH = 7.4): 3.4574988
• Log P: 3.457873
• Molar Refractivity: 115.246 cm^3
• Polarizability: 43.735657 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.15
• LOG S: -6.82
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 4