N-(2,5-dichlorophenyl)-2-(propylamino)acetamide hydrochloride

• ChemBase ID: 233004
• Molecular Formular: C11H15Cl3N2O
• Molecular Mass: 297.6086
• Monoisotopic Mass: 296.02499615
• SMILES: c1(NC(=O)CNCCC)cc(ccc1Cl)Cl.Cl
• Canonical SMILES: CCCNCC(=O)Nc1cc(Cl)ccc1Cl.Cl
• InChI: InChI=1S/C11H14Cl2N2O.ClH/c1-2-5-14-7-11(16)15-10-6-8(12)3-4-9(10)13;/h3-4,6,14H,2,5,7H2,1H3,(H,15,16);1H
• InChIKey: AJIPWDCMJMDFBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-dichlorophenyl)-2-(propylamino)acetamide hydrochloride
• IUPAC Traditional name: N-(2,5-dichlorophenyl)-2-(propylamino)acetamide hydrochloride
• Synonyms: N-(2,5-dichlorophenyl)-2-(propylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08447228
• PubChem SID: 164288914
• PubChem CID: 20847923

CALCULATED PROPERTIES

• Acid pKa: 12.064791
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.084380515
• LogD (pH = 7.4): 1.5401306
• Log P: 2.8068264
• Molar Refractivity: 67.9375 cm^3
• Polarizability: 26.035078 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.573

Product Information

• Purity: 95%
• Salt Data: HCl