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

• ChemBase ID: 250429
• Molecular Formular: C13H18Cl2N2O2
• Molecular Mass: 305.20022
• Monoisotopic Mass: 304.07453319
• SMILES: N1(Cc2ccc(NC(=O)CCl)cc2)CCOCC1.Cl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)CN1CCOCC1.Cl
• InChI: InChI=1S/C13H17ClN2O2.ClH/c14-9-13(17)15-12-3-1-11(2-4-12)10-16-5-7-18-8-6-16;/h1-4H,5-10H2,(H,15,17);1H
• InChIKey: KMPSDBKFKOQTFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07352232
• PubChem SID: 164306339
• PubChem CID: 16258766

CALCULATED PROPERTIES

• Acid pKa: 13.466121
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.1030096
• LogD (pH = 7.4): 1.362877
• Log P: 1.4711963
• Molar Refractivity: 73.2914 cm^3
• Polarizability: 27.739605 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.521

Product Information

• Purity: 95%
• Salt Data: HCl