2-chloro-N-[1-(morpholin-4-yl)-1-phenylpropan-2-yl]acetamide hydrochloride

• ChemBase ID: 251643
• Molecular Formular: C15H22Cl2N2O2
• Molecular Mass: 333.25338
• Monoisotopic Mass: 332.10583331
• SMILES: C(NC(=O)CCl)(C(N1CCOCC1)c1ccccc1)C.Cl
• Canonical SMILES: ClCC(=O)NC(C(c1ccccc1)N1CCOCC1)C.Cl
• InChI: InChI=1S/C15H21ClN2O2.ClH/c1-12(17-14(19)11-16)15(13-5-3-2-4-6-13)18-7-9-20-10-8-18;/h2-6,12,15H,7-11H2,1H3,(H,17,19);1H
• InChIKey: DTYZBXKUDSJZOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[1-(morpholin-4-yl)-1-phenylpropan-2-yl]acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-[1-(morpholin-4-yl)-1-phenylpropan-2-yl]acetamide hydrochloride
• Synonyms: 2-chloro-N-(1-methyl-2-morpholin-4-yl-2-phenylethyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08692029
• PubChem SID: 164307553
• PubChem CID: 16383521

CALCULATED PROPERTIES

• Acid pKa: 13.310425
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1477677
• LogD (pH = 7.4): 1.7164328
• Log P: 1.7316909
• Molar Refractivity: 79.911 cm^3
• Polarizability: 31.425236 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.898

Product Information

• Purity: 95%
• Salt Data: HCl