2-chloro-N-{4-[2-(morpholin-4-yl)acetamido]phenyl}acetamide

• ChemBase ID: 253997
• Molecular Formular: C14H18ClN3O3
• Molecular Mass: 311.76402
• Monoisotopic Mass: 311.10366913
• SMILES: C(=O)(Nc1ccc(NC(=O)CCl)cc1)CN1CCOCC1
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)NC(=O)CN1CCOCC1
• InChI: InChI=1S/C14H18ClN3O3/c15-9-13(19)16-11-1-3-12(4-2-11)17-14(20)10-18-5-7-21-8-6-18/h1-4H,5-10H2,(H,16,19)(H,17,20)
• InChIKey: ABLSOKONMLXVMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-{4-[2-(morpholin-4-yl)acetamido]phenyl}acetamide
• IUPAC Traditional name: 2-chloro-N-{4-[2-(morpholin-4-yl)acetamido]phenyl}acetamide
• Synonyms: 2-chloro-N-{4-[(morpholin-4-ylacetyl)amino]phenyl}acetamide

Database IDs

• MDL Number: MFCD10686666
• PubChem SID: 164309907
• PubChem CID: 28818745

CALCULATED PROPERTIES

• Acid pKa: 13.29819
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5154317
• LogD (pH = 7.4): 0.65687066
• Log P: 0.6590084
• Molar Refractivity: 83.0407 cm^3
• Polarizability: 30.831104 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.924

Product Information

• Purity: 95%