2-(methylamino)-N-[3-(2-phenylacetamido)phenyl]benzamide

• ChemBase ID: 672263
• Molecular Formular: C22H21N3O2
• Molecular Mass: 359.42104
• Monoisotopic Mass: 359.16337693
• SMILES: C(=O)(c1c(NC)cccc1)Nc1cc(NC(=O)Cc2ccccc2)ccc1
• Canonical SMILES: CNc1ccccc1C(=O)Nc1cccc(c1)NC(=O)Cc1ccccc1
• InChI: InChI=1S/C22H21N3O2/c1-23-20-13-6-5-12-19(20)22(27)25-18-11-7-10-17(15-18)24-21(26)14-16-8-3-2-4-9-16/h2-13,15,23H,14H2,1H3,(H,24,26)(H,25,27)
• InChIKey: GSSFRYZSPSIMTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-[3-(2-phenylacetamido)phenyl]benzamide
• IUPAC Traditional name: 2-(methylamino)-N-[3-(2-phenylacetamido)phenyl]benzamide
• Synonyms: 2-(methylamino)-N-{3-[(phenylacetyl)amino]phenyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.562142
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 4.2595577
• LogD (pH = 7.4): 4.2599535
• Log P: 4.2599587
• Molar Refractivity: 111.3702 cm^3
• Polarizability: 40.396915 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 3.45
• LOG S: -4.77
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 6