(2S)-N-(3-hydroxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

• ChemBase ID: 221246
• Molecular Formular: C22H18N2O3
• Molecular Mass: 358.38992
• Monoisotopic Mass: 358.13174245
• SMILES: N1(C(=O)c2c(C1)cccc2)[C@H](C(=O)Nc1cc(O)ccc1)c1ccccc1
• Canonical SMILES: Oc1cccc(c1)NC(=O)[C@@H](N1Cc2c(C1=O)cccc2)c1ccccc1
• InChI: InChI=1S/C22H18N2O3/c25-18-11-6-10-17(13-18)23-21(26)20(15-7-2-1-3-8-15)24-14-16-9-4-5-12-19(16)22(24)27/h1-13,20,25H,14H2,(H,23,26)/t20-/m0/s1
• InChIKey: XYAJRNBFAGJGPC-FQEVSTJZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-N-(3-hydroxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide
• IUPAC Traditional name: (2S)-N-(3-hydroxyphenyl)-2-(1-oxo-3H-isoindol-2-yl)-2-phenylacetamide

Database IDs

• PubChem SID: 164277156
• PubChem CID: 42507396

CALCULATED PROPERTIES

• Log P: 3.5676148
• Molar Refractivity: 104.1851 cm^3
• Polarizability: 38.935055 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 9.232801
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.567535
• LogD (pH = 7.4): 3.5613177

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds