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

• ChemBase ID: 229303
• Molecular Formular: C12H16Cl2N2O2
• Molecular Mass: 291.17364
• Monoisotopic Mass: 290.05888312
• SMILES: N1(c2ccc(NC(=O)CCl)cc2)CCOCC1.Cl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)N1CCOCC1.Cl
• InChI: InChI=1S/C12H15ClN2O2.ClH/c13-9-12(16)14-10-1-3-11(4-2-10)15-5-7-17-8-6-15;/h1-4H,5-9H2,(H,14,16);1H
• InChIKey: XWMDAKHLVAIYGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(morpholin-4-yl)phenyl]acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-[4-(morpholin-4-yl)phenyl]acetamide hydrochloride
• Synonyms: 2-chloro-N-[4-(morpholin-4-yl)phenyl]acetamide hydrochloride

Database IDs

• PubChem SID: 164285213
• PubChem CID: 71755369

CALCULATED PROPERTIES

• Acid pKa: 14.809024
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6378285
• LogD (pH = 7.4): 1.6378433
• Log P: 1.6378434
• Molar Refractivity: 69.1773 cm^3
• Polarizability: 25.534628 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 - 246°C
• Hydrophobicity(logP): 1.594

Product Information

• Purity: 95%
• Salt Data: HCl