2-chloro-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

• ChemBase ID: 251698
• Molecular Formular: C14H16ClN3O3
• Molecular Mass: 309.74814
• Monoisotopic Mass: 309.08801907
• SMILES: N1(C(=O)NC(C1=O)(CCc1ccccc1)C)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NN1C(=O)NC(C1=O)(C)CCc1ccccc1
• InChI: InChI=1S/C14H16ClN3O3/c1-14(8-7-10-5-3-2-4-6-10)12(20)18(13(21)16-14)17-11(19)9-15/h2-6H,7-9H2,1H3,(H,16,21)(H,17,19)
• InChIKey: XFJUOGDKSPZMPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
• IUPAC Traditional name: 2-chloro-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
• Synonyms: 2-chloro-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

Database IDs

• MDL Number: MFCD08691103
• PubChem SID: 164307608
• PubChem CID: 16226964

CALCULATED PROPERTIES

• Acid pKa: 7.3766212
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5950243
• LogD (pH = 7.4): 1.3365469
• Log P: 1.6000991
• Molar Refractivity: 77.0924 cm^3
• Polarizability: 29.87581 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.92

Product Information

• Purity: 95%