2-[(3,5-dimethylphenyl)amino]-N-phenylacetamide hydrochloride

• ChemBase ID: 270759
• Molecular Formular: C16H19ClN2O
• Molecular Mass: 290.78786
• Monoisotopic Mass: 290.11859092
• SMILES: C(=O)(Nc1ccccc1)CNc1cc(cc(c1)C)C.Cl
• Canonical SMILES: O=C(Nc1ccccc1)CNc1cc(C)cc(c1)C.Cl
• InChI: InChI=1S/C16H18N2O.ClH/c1-12-8-13(2)10-15(9-12)17-11-16(19)18-14-6-4-3-5-7-14;/h3-10,17H,11H2,1-2H3,(H,18,19);1H
• InChIKey: RELTWIRILQPOGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3,5-dimethylphenyl)amino]-N-phenylacetamide hydrochloride
• IUPAC Traditional name: 2-[(3,5-dimethylphenyl)amino]-N-phenylacetamide hydrochloride
• Synonyms: 2-[(3,5-dimethylphenyl)amino]-N-phenylacetamide hydrochloride

Database IDs

• MDL Number: MFCD17480462
• PubChem SID: 164326669
• PubChem CID: 50988159

CALCULATED PROPERTIES

• Acid pKa: 13.466598
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3844981
• LogD (pH = 7.4): 3.3851433
• Log P: 3.3851519
• Molar Refractivity: 80.6961 cm^3
• Polarizability: 29.48664 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 222 - 224°C
• Hydrophobicity(logP): 3.39

Product Information

• Purity: 95%