6-chloro-5-ethoxy-N-(pyridin-2-yl)-2,3-dihydro-1H-indole-1-carboxamide

• ChemBase ID: 125514
• Molecular Formular: C16H16ClN3O2
• Molecular Mass: 317.77014
• Monoisotopic Mass: 317.09310445
• SMILES: c1cccnc1NC(=O)N1c2cc(Cl)c(cc2CC1)OCC
• Canonical SMILES: CCOc1cc2CCN(c2cc1Cl)C(=O)Nc1ccccn1
• InChI: InChI=1S/C16H16ClN3O2/c1-2-22-14-9-11-6-8-20(13(11)10-12(14)17)16(21)19-15-5-3-4-7-18-15/h3-5,7,9-10H,2,6,8H2,1H3,(H,18,19,21)
• InChIKey: OCFLVVOXCVJFTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-ethoxy-N-(pyridin-2-yl)-2,3-dihydro-1H-indole-1-carboxamide
• IUPAC Traditional name: 6-chloro-5-ethoxy-N-(pyridin-2-yl)-2,3-dihydroindole-1-carboxamide
• Synonyms: 6-Chloro-5-ethoxy-N-(pyridin-2-yl)indoline-1-carboxamide

Database IDs

• PubChem SID: 162219864
• PubChem CID: 57515146
• Wikipedia Title: 6-Chloro-5-ethoxy-N-(pyridin-2-yl)indoline-1-carboxamide

CALCULATED PROPERTIES

• Acid pKa: 11.041909
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1936934
• LogD (pH = 7.4): 3.2023683
• Log P: 3.2025762
• Molar Refractivity: 86.6515 cm^3
• Polarizability: 32.407566 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true