N-(4-methoxyphenyl)-2-(methylamino)benzamide

• ChemBase ID: 232618
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: C(=O)(c1c(NC)cccc1)Nc1ccc(cc1)OC
• Canonical SMILES: CNc1ccccc1C(=O)Nc1ccc(cc1)OC
• InChI: InChI=1S/C15H16N2O2/c1-16-14-6-4-3-5-13(14)15(18)17-11-7-9-12(19-2)10-8-11/h3-10,16H,1-2H3,(H,17,18)
• InChIKey: ZYHZFRUUEAWJIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-2-(methylamino)benzamide
• IUPAC Traditional name: N-(4-methoxyphenyl)-2-(methylamino)benzamide
• Synonyms: N-(4-methoxyphenyl)-2-(methylamino)benzamide

Database IDs

• CAS Number: 1029-08-9
• MDL Number: MFCD01196815
• PubChem SID: 164288528
• PubChem CID: 3861253

CALCULATED PROPERTIES

• Acid pKa: 12.115489
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0298362
• LogD (pH = 7.4): 3.0302246
• Log P: 3.0302374
• Molar Refractivity: 78.2485 cm^3
• Polarizability: 28.43402 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.97

Product Information

• Purity: 95%