N-(5-chloro-2-methylphenyl)-2-(ethylamino)acetamide hydrochloride

• ChemBase ID: 232580
• Molecular Formular: C11H16Cl2N2O
• Molecular Mass: 263.16354
• Monoisotopic Mass: 262.0639685
• SMILES: c1(NC(=O)CNCC)cc(ccc1C)Cl.Cl
• Canonical SMILES: Cc1ccc(cc1NC(=O)CNCC)Cl.Cl
• InChI: InChI=1S/C11H15ClN2O.ClH/c1-3-13-7-11(15)14-10-6-9(12)5-4-8(10)2;/h4-6,13H,3,7H2,1-2H3,(H,14,15);1H
• InChIKey: MGWOEOGTNDFSDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-chloro-2-methylphenyl)-2-(ethylamino)acetamide hydrochloride
• IUPAC Traditional name: N-(5-chloro-2-methylphenyl)-2-(ethylamino)acetamide hydrochloride
• Synonyms: N-(5-chloro-2-methylphenyl)-2-(ethylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08447243
• PubChem SID: 164288490
• PubChem CID: 24185410

CALCULATED PROPERTIES

• Acid pKa: 13.324442
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6441331
• LogD (pH = 7.4): 1.0129181
• Log P: 2.1936808
• Molar Refractivity: 63.6499 cm^3
• Polarizability: 24.045717 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.94

Product Information

• Purity: 95%
• Salt Data: HCl