2-chloro-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]acetamide

• ChemBase ID: 266049
• Molecular Formular: C14H19ClN2O2
• Molecular Mass: 282.76586
• Monoisotopic Mass: 282.11350554
• SMILES: N1(c2ccc(NC(=O)CCl)cc2)CC(OC(C1)C)C
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)N1CC(C)OC(C1)C
• InChI: InChI=1S/C14H19ClN2O2/c1-10-8-17(9-11(2)19-10)13-5-3-12(4-6-13)16-14(18)7-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)
• InChIKey: RULGFODZFMPBIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]acetamide
• Synonyms: 2-chloro-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]acetamide

Database IDs

• MDL Number: MFCD05669006
• PubChem SID: 164321959
• PubChem CID: 3367772

CALCULATED PROPERTIES

• Acid pKa: 14.806883
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4709604
• LogD (pH = 7.4): 2.470993
• Log P: 2.4709935
• Molar Refractivity: 78.0149 cm^3
• Polarizability: 29.201052 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 175 - 177°C
• Hydrophobicity(logP): 2.268

Product Information

• Purity: 95%