N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]acetamide

• ChemBase ID: 274383
• Molecular Formular: C11H11N3O3
• Molecular Mass: 233.22334
• Monoisotopic Mass: 233.08004123
• SMILES: N1C(=O)C(NC1=O)c1ccc(NC(=O)C)cc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)C1NC(=O)NC1=O
• InChI: InChI=1S/C11H11N3O3/c1-6(15)12-8-4-2-7(3-5-8)9-10(16)14-11(17)13-9/h2-5,9H,1H3,(H,12,15)(H2,13,14,16,17)
• InChIKey: GUTQNQMNYWTMBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]acetamide
• Synonyms: N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]acetamide

Database IDs

• MDL Number: MFCD09739473
• PubChem SID: 164330293
• PubChem CID: 12901639

CALCULATED PROPERTIES

• Acid pKa: 9.567677
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.27611744
• LogD (pH = 7.4): -0.278989
• Log P: -0.2760807
• Molar Refractivity: 60.267 cm^3
• Polarizability: 22.49039 Å^3
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 314 - 316°C
• Hydrophobicity(logP): -0.454

Product Information

• Purity: 95%