4-amino-2-chloro-N-(2-methoxyethyl)benzamide hydrochloride

• ChemBase ID: 260284
• Molecular Formular: C10H14Cl2N2O2
• Molecular Mass: 265.13636
• Monoisotopic Mass: 264.04323306
• SMILES: c1(c(cc(cc1)N)Cl)C(=O)NCCOC.Cl
• Canonical SMILES: COCCNC(=O)c1ccc(cc1Cl)N.Cl
• InChI: InChI=1S/C10H13ClN2O2.ClH/c1-15-5-4-13-10(14)8-3-2-7(12)6-9(8)11;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H
• InChIKey: GMAWGTNROXGBSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2-chloro-N-(2-methoxyethyl)benzamide hydrochloride
• IUPAC Traditional name: 4-amino-2-chloro-N-(2-methoxyethyl)benzamide hydrochloride
• Synonyms: 4-amino-2-chloro-N-(2-methoxyethyl)benzamide hydrochloride

Database IDs

• MDL Number: MFCD12197158
• PubChem SID: 164316194
• PubChem CID: 45791537

CALCULATED PROPERTIES

• Acid pKa: 14.322318
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7750484
• LogD (pH = 7.4): 0.77569705
• Log P: 0.7757054
• Molar Refractivity: 60.5818 cm^3
• Polarizability: 22.453804 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192 - 194°C
• Hydrophobicity(logP): 0.057

Product Information

• Purity: 95%