2-{2-[(2,6-dichlorophenyl)amino]-5-methoxyphenyl}-N,N-dimethylacetamide

• ChemBase ID: 167121
• Molecular Formular: C17H18Cl2N2O2
• Molecular Mass: 353.24302
• Monoisotopic Mass: 352.07453319
• SMILES: c1(ccc(c(c1)CC(=O)N(C)C)Nc1c(cccc1Cl)Cl)OC
• Canonical SMILES: COc1ccc(c(c1)CC(=O)N(C)C)Nc1c(Cl)cccc1Cl
• InChI: InChI=1S/C17H18Cl2N2O2/c1-21(2)16(22)10-11-9-12(23-3)7-8-15(11)20-17-13(18)5-4-6-14(17)19/h4-9,20H,10H2,1-3H3
• InChIKey: RNEYHXNPKZCUAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[(2,6-dichlorophenyl)amino]-5-methoxyphenyl}-N,N-dimethylacetamide
• IUPAC Traditional name: 2-{2-[(2,6-dichlorophenyl)amino]-5-methoxyphenyl}-N,N-dimethylacetamide
• Synonyms: 2-[2-(2,6-Dichloro-phenylamino)-5-methoxy-phenyl]-N,N-dimethylacetamide; 2-[(2,6-Dichlorophenyl)amino]-5-methoxy-N,N-dimethyl-benzeneacetamide; 2-[(2',6'-Dichlorophenyl)amino]-5-methoxyphenyl-N,N-dimethylacetamide

Database IDs

• CAS Number: 698357-92-5
• PubChem SID: 162261254
• PubChem CID: 29978134

CALCULATED PROPERTIES

• Acid pKa: 17.333801
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7417474
• LogD (pH = 7.4): 3.7417474
• Log P: 3.7417474
• Molar Refractivity: 93.5402 cm^3
• Polarizability: 35.915684 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Pale-Yellowish Solid