N-(2,6-dichlorophenyl)-2-(ethylamino)acetamide hydrochloride

• ChemBase ID: 251995
• Molecular Formular: C10H13Cl3N2O
• Molecular Mass: 283.58202
• Monoisotopic Mass: 282.00934609
• SMILES: c1(NC(=O)CNCC)c(Cl)cccc1Cl.Cl
• Canonical SMILES: CCNCC(=O)Nc1c(Cl)cccc1Cl.Cl
• InChI: InChI=1S/C10H12Cl2N2O.ClH/c1-2-13-6-9(15)14-10-7(11)4-3-5-8(10)12;/h3-5,13H,2,6H2,1H3,(H,14,15);1H
• InChIKey: FPQYMOFYMTYLDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,6-dichlorophenyl)-2-(ethylamino)acetamide hydrochloride
• IUPAC Traditional name: N-(2,6-dichlorophenyl)-2-(ethylamino)acetamide hydrochloride
• Synonyms: N-(2,6-dichlorophenyl)-2-(ethylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD08457601
• PubChem SID: 164307905
• PubChem CID: 16334781

CALCULATED PROPERTIES

• Acid pKa: 11.375834
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.49977654
• LogD (pH = 7.4): 1.1819187
• Log P: 2.2843041
• Molar Refractivity: 63.4135 cm^3
• Polarizability: 24.220943 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.194

Product Information

• Purity: 95%
• Salt Data: HCl