N-[(3-chloro-2-fluorophenyl)methyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 539937
• Molecular Formular: C14H15ClFN3O3
• Molecular Mass: 327.7386032
• Monoisotopic Mass: 327.07859726
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCc1c(c(Cl)ccc1)F)C)C
• Canonical SMILES: O=C(CC1N(C)C(=O)N(C1=O)C)NCc1cccc(c1F)Cl
• InChI: InChI=1S/C14H15ClFN3O3/c1-18-10(13(21)19(2)14(18)22)6-11(20)17-7-8-4-3-5-9(15)12(8)16/h3-5,10H,6-7H2,1-2H3,(H,17,20)
• InChIKey: KVOLTMPISOSRCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-chloro-2-fluorophenyl)methyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-[(3-chloro-2-fluorophenyl)methyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
• Synonyms: N-(3-chloro-2-fluorobenzyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.694767
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.81203717
• LogD (pH = 7.4): 0.812037
• Log P: 0.81203717
• Molar Refractivity: 77.7215 cm^3
• Polarizability: 29.718475 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: -0.04
• LOG S: -2.87
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 4