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

• ChemBase ID: 11435
• Molecular Formular: C12H15ClN2O2
• Molecular Mass: 254.7127
• Monoisotopic Mass: 254.08220541
• SMILES: N1(c2c(NC(=O)CCl)cccc2)CCOCC1
• Canonical SMILES: ClCC(=O)Nc1ccccc1N1CCOCC1
• InChI: InChI=1S/C12H15ClN2O2/c13-9-12(16)14-10-3-1-2-4-11(10)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
• InChIKey: BSNSJNSHLAAUEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 303151-23-7
• MDL Number: MFCD00173046
• PubChem SID: 160974742
• PubChem CID: 844898

CALCULATED PROPERTIES

• Acid pKa: 13.195888
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6378416
• LogD (pH = 7.4): 1.6378428
• Log P: 1.6378434
• Molar Refractivity: 69.1773 cm^3
• Polarizability: 25.536293 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.594

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%