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

• ChemBase ID: 251686
• Molecular Formular: C14H20Cl2N2O2
• Molecular Mass: 319.2268
• Monoisotopic Mass: 318.09018325
• SMILES: N1(Cc2c(CNC(=O)CCl)cccc2)CCOCC1.Cl
• Canonical SMILES: ClCC(=O)NCc1ccccc1CN1CCOCC1.Cl
• InChI: InChI=1S/C14H19ClN2O2.ClH/c15-9-14(18)16-10-12-3-1-2-4-13(12)11-17-5-7-19-8-6-17;/h1-4H,5-11H2,(H,16,18);1H
• InChIKey: PPOXWDDHVHYOLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07841706
• PubChem SID: 164307596
• PubChem CID: 16277033

CALCULATED PROPERTIES

• Acid pKa: 13.215641
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.16338566
• LogD (pH = 7.4): 1.0758346
• Log P: 1.178101
• Molar Refractivity: 76.3456 cm^3
• Polarizability: 29.584074 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.26

Product Information

• Purity: 95%
• Salt Data: HCl