N-(5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide hydrochloride

• ChemBase ID: 233201
• Molecular Formular: C10H14Cl2N2O2
• Molecular Mass: 265.13636
• Monoisotopic Mass: 264.04323306
• SMILES: c1(NC(=O)CNC)cc(ccc1OC)Cl.Cl
• Canonical SMILES: CNCC(=O)Nc1cc(Cl)ccc1OC.Cl
• InChI: InChI=1S/C10H13ClN2O2.ClH/c1-12-6-10(14)13-8-5-7(11)3-4-9(8)15-2;/h3-5,12H,6H2,1-2H3,(H,13,14);1H
• InChIKey: NRZPVHLZGBGSRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: N-(5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide hydrochloride
• Synonyms: N-(5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08447242
• PubChem SID: 164289111
• PubChem CID: 43810404

CALCULATED PROPERTIES

• Acid pKa: 11.8475685
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5858797
• LogD (pH = 7.4): 0.10813075
• Log P: 1.1657802
• Molar Refractivity: 60.3233 cm^3
• Polarizability: 22.984732 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 182°C
• Hydrophobicity(logP): 0.988

Product Information

• Purity: 95%
• Salt Data: HCl