N-{2-[(2-chlorophenyl)formamido]ethyl}-3-(2,5-dioxoimidazolidin-4-yl)propanamide

• ChemBase ID: 559572
• Molecular Formular: C15H17ClN4O4
• Molecular Mass: 352.77288
• Monoisotopic Mass: 352.09383272
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCNC(=O)c1c(Cl)cccc1
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCNC(=O)c1ccccc1Cl
• InChI: InChI=1S/C15H17ClN4O4/c16-10-4-2-1-3-9(10)13(22)18-8-7-17-12(21)6-5-11-14(23)20-15(24)19-11/h1-4,11H,5-8H2,(H,17,21)(H,18,22)(H2,19,20,23,24)
• InChIKey: YQDJHGNQLLBYEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(2-chlorophenyl)formamido]ethyl}-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• IUPAC Traditional name: N-{2-[(2-chlorophenyl)formamido]ethyl}-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• Synonyms: 2-chloro-N-(2-{[3-(2,5-dioxo-4-imidazolidinyl)propanoyl]amino}ethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.635777
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -0.3378231
• LogD (pH = 7.4): -0.34027898
• Log P: -0.33779156
• Molar Refractivity: 85.9182 cm^3
• Polarizability: 32.857258 Å^3
• Polar Surface Area: 116.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 4
• Log P: -1.28
• LOG S: -1.99
• Polar Surface Area: 116.4 Å^2
• Rotatable Bonds: 7