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

• ChemBase ID: 251697
• Molecular Formular: C17H14ClN3O3
• Molecular Mass: 343.76436
• Monoisotopic Mass: 343.072369
• SMILES: N1(C(=O)C(NC1=O)(c1ccccc1)c1ccccc1)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H14ClN3O3/c18-11-14(22)20-21-15(23)17(19-16(21)24,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,24)(H,20,22)
• InChIKey: JDORNXWMZOGJAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07850225
• PubChem SID: 164307607
• PubChem CID: 9115247

CALCULATED PROPERTIES

• Acid pKa: 7.272335
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.089374
• LogD (pH = 7.4): 1.7879711
• Log P: 2.0958147
• Molar Refractivity: 87.8014 cm^3
• Polarizability: 33.891975 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.251

Product Information

• Purity: 95%