2-chloro-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

• ChemBase ID: 251694
• Molecular Formular: C13H14ClN3O4
• Molecular Mass: 311.72096
• Monoisotopic Mass: 311.06728362
• SMILES: N1(C(=O)C(NC1=O)(c1ccc(cc1)OC)C)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NN1C(=O)NC(C1=O)(C)c1ccc(cc1)OC
• InChI: InChI=1S/C13H14ClN3O4/c1-13(8-3-5-9(21-2)6-4-8)11(19)17(12(20)15-13)16-10(18)7-14/h3-6H,7H2,1-2H3,(H,15,20)(H,16,18)
• InChIKey: DYBOUCWZPBKPIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08691100
• PubChem SID: 164307604
• PubChem CID: 16226961

CALCULATED PROPERTIES

• Acid pKa: 7.0402265
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.69827986
• LogD (pH = 7.4): 0.29268426
• Log P: 0.709198
• Molar Refractivity: 74.1996 cm^3
• Polarizability: 28.780159 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): 0.131

Product Information

• Purity: 95%