2-chloro-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 251693
• Molecular Formular: C8H12ClN3O3
• Molecular Mass: 233.65218
• Monoisotopic Mass: 233.05671894
• SMILES: N1(C(=O)NC(C1=O)(CC)C)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NN1C(=O)NC(C1=O)(C)CC
• InChI: InChI=1S/C8H12ClN3O3/c1-3-8(2)6(14)12(7(15)10-8)11-5(13)4-9/h3-4H2,1-2H3,(H,10,15)(H,11,13)
• InChIKey: UDLZRULAKSUQDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08729197
• PubChem SID: 164307603
• PubChem CID: 16226960

CALCULATED PROPERTIES

• Acid pKa: 7.114612
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.012505027
• LogD (pH = 7.4): -0.3587122
• Log P: 0.021726497
• Molar Refractivity: 52.3964 cm^3
• Polarizability: 20.429796 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.498

Product Information

• Purity: 95%