N-(3-chlorophenyl)-2-[(2-hydroxyethyl)amino]acetamide

• ChemBase ID: 293447
• Molecular Formular: C10H13ClN2O2
• Molecular Mass: 228.67542
• Monoisotopic Mass: 228.06655535
• SMILES: O=C(Nc1cccc(Cl)c1)CNCCO
• Canonical SMILES: OCCNCC(=O)Nc1cccc(c1)Cl
• InChI: InChI=1S/C10H13ClN2O2/c11-8-2-1-3-9(6-8)13-10(15)7-12-4-5-14/h1-3,6,12,14H,4-5,7H2,(H,13,15)
• InChIKey: HNEPASVOLLNGJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-chlorophenyl)-2-[(2-hydroxyethyl)amino]acetamide
• IUPAC Traditional name: N-(3-chlorophenyl)-2-[(2-hydroxyethyl)amino]acetamide
• Synonyms: N-(3-Chlorophenyl)-2-((2-hydroxyethyl)amino)acetamide

Database IDs

• CAS Number: 215649-70-0
• PubChem SID: 180678978
• PubChem CID: 9794574

CALCULATED PROPERTIES

• Acid pKa: 13.213659
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.7612033
• LogD (pH = 7.4): -0.03091103
• Log P: 0.6333494
• Molar Refractivity: 60.1524 cm^3
• Polarizability: 22.93452 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%