2-chloro-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide

• ChemBase ID: 17312
• Molecular Formular: C12H14Cl2N2O2
• Molecular Mass: 289.15776
• Monoisotopic Mass: 288.04323306
• SMILES: c1(N2CCOCC2)c(cc(cc1)NC(=O)CCl)Cl
• Canonical SMILES: ClCC(=O)Nc1ccc(c(c1)Cl)N1CCOCC1
• InChI: InChI=1S/C12H14Cl2N2O2/c13-8-12(17)15-9-1-2-11(10(14)7-9)16-3-5-18-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
• InChIKey: JLZNAOAJNZLXGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide
• Synonyms: 2-Chloro-N-(3-chloro-4-morpholin-4-yl-phenyl)-acetamide

Database IDs

• MDL Number: MFCD00861084
• PubChem SID: 160980619
• PubChem CID: 769961

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.370109
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.241888
• LogD (pH = 7.4): 2.241888
• Log P: 2.241888
• Molar Refractivity: 73.9821 cm^3
• Polarizability: 27.466455 Å^3
• Polar Surface Area: 41.57 Å^2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false