ethyl 2-[(3,5-dichlorophenyl)amino]acetate

• ChemBase ID: 238275
• Molecular Formular: C10H11Cl2NO2
• Molecular Mass: 248.10584
• Monoisotopic Mass: 247.01668396
• SMILES: C(=O)(CNc1cc(cc(c1)Cl)Cl)OCC
• Canonical SMILES: CCOC(=O)CNc1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C10H11Cl2NO2/c1-2-15-10(14)6-13-9-4-7(11)3-8(12)5-9/h3-5,13H,2,6H2,1H3
• InChIKey: OYHDHOSMXNFGDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(3,5-dichlorophenyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(3,5-dichlorophenyl)amino]acetate
• Synonyms: ethyl 2-[(3,5-dichlorophenyl)amino]acetate

Database IDs

• MDL Number: MFCD00110581
• PubChem SID: 164294185
• PubChem CID: 302672

CALCULATED PROPERTIES

• Acid pKa: 14.924576
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6347847
• LogD (pH = 7.4): 2.6347985
• Log P: 2.6347985
• Molar Refractivity: 61.4637 cm^3
• Polarizability: 23.41927 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 3.757

Product Information

• Purity: 95%