N'-(5-chloro-2-methylphenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanediamide

• ChemBase ID: 547829
• Molecular Formular: C15H19ClN4O3
• Molecular Mass: 338.78936
• Monoisotopic Mass: 338.11456817
• SMILES: C1(=O)N(CCNC(=O)CC(=O)Nc2cc(ccc2C)Cl)CCN1
• Canonical SMILES: Cc1ccc(cc1NC(=O)CC(=O)NCCN1CCNC1=O)Cl
• InChI: InChI=1S/C15H19ClN4O3/c1-10-2-3-11(16)8-12(10)19-14(22)9-13(21)17-4-6-20-7-5-18-15(20)23/h2-3,8H,4-7,9H2,1H3,(H,17,21)(H,18,23)(H,19,22)
• InChIKey: HVBFGZUFHCLRQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(5-chloro-2-methylphenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanediamide
• IUPAC Traditional name: N'-(5-chloro-2-methylphenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanediamide
• Synonyms: N-(5-chloro-2-methylphenyl)-N'-[2-(2-oxoimidazolidin-1-yl)ethyl]malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.983363
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.6015286
• LogD (pH = 7.4): 0.6015275
• Log P: 0.6015286
• Molar Refractivity: 87.7247 cm^3
• Polarizability: 32.81834 Å^3
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.71
• LOG S: -2.27
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 6