N-(2-chloroethyl)-2-(morpholin-4-yl)-2-oxoacetamide

• ChemBase ID: 231194
• Molecular Formular: C8H13ClN2O3
• Molecular Mass: 220.65342
• Monoisotopic Mass: 220.06146997
• SMILES: C(=O)(N1CCOCC1)C(=O)NCCCl
• Canonical SMILES: ClCCNC(=O)C(=O)N1CCOCC1
• InChI: InChI=1S/C8H13ClN2O3/c9-1-2-10-7(12)8(13)11-3-5-14-6-4-11/h1-6H2,(H,10,12)
• InChIKey: SYXBIUKMCXZGNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chloroethyl)-2-(morpholin-4-yl)-2-oxoacetamide
• IUPAC Traditional name: N-(2-chloroethyl)-2-(morpholin-4-yl)-2-oxoacetamide
• Synonyms: N-(2-Chloro-ethyl)-2-morpholin-4-yl-2-oxo-acetamide

Database IDs

• MDL Number: MFCD03964621
• PubChem SID: 164287104
• PubChem CID: 2384428

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.76061946
• LogD (pH = 7.4): -0.76063824
• Log P: -0.7606192
• Molar Refractivity: 51.1909 cm^3
• Polarizability: 19.853466 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 11.705162

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.277

Product Information

• Purity: 95%