N-{2-[(4-chlorophenyl)methoxy]ethyl}-2-(2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 497014
• Molecular Formular: C14H16ClN3O4
• Molecular Mass: 325.74754
• Monoisotopic Mass: 325.08293369
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCOCc1ccc(Cl)cc1
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCCOCc1ccc(cc1)Cl
• InChI: InChI=1S/C14H16ClN3O4/c15-11-3-1-10(2-4-11)9-22-6-5-16-12(19)8-18-13(20)7-17-14(18)21/h1-4H,5-9H2,(H,16,19)(H,17,21)
• InChIKey: JDRKRLLXIPVDRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(4-chlorophenyl)methoxy]ethyl}-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-{2-[(4-chlorophenyl)methoxy]ethyl}-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-{2-[(4-chlorobenzyl)oxy]ethyl}-2-(2,5-dioxo-1-imidazolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.925598
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.05028552
• LogD (pH = 7.4): -0.05029815
• Log P: -0.050285358
• Molar Refractivity: 79.2072 cm^3
• Polarizability: 30.65676 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.21
• LOG S: -3.06
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 7