2-chloro-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

• ChemBase ID: 251696
• Molecular Formular: C13H14ClN3O3
• Molecular Mass: 295.72156
• Monoisotopic Mass: 295.072369
• SMILES: N1(C(=O)C(NC1=O)(c1ccccc1)CC)NC(=O)CCl
• Canonical SMILES: CCC1(NC(=O)N(C1=O)NC(=O)CCl)c1ccccc1
• InChI: InChI=1S/C13H14ClN3O3/c1-2-13(9-6-4-3-5-7-9)11(19)17(12(20)15-13)16-10(18)8-14/h3-7H,2,8H2,1H3,(H,15,20)(H,16,18)
• InChIKey: ASCOLXHIXNBOGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
• Synonyms: 2-chloro-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

Database IDs

• MDL Number: MFCD08691102
• PubChem SID: 164307606
• PubChem CID: 16226963

CALCULATED PROPERTIES

• Acid pKa: 7.2571282
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3827244
• LogD (pH = 7.4): 1.0748786
• Log P: 1.3893917
• Molar Refractivity: 72.2604 cm^3
• Polarizability: 28.046532 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.741

Product Information

• Purity: 95%