N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2,3-dihydro-1-benzofuran-6-yl)acetamide

• ChemBase ID: 226839
• Molecular Formular: C20H19ClN2O2
• Molecular Mass: 354.83006
• Monoisotopic Mass: 354.11350554
• SMILES: [nH]1cc(c2c1ccc(c2)Cl)CCNC(=O)Cc1cc2OCCc2cc1
• Canonical SMILES: O=C(Cc1ccc2c(c1)OCC2)NCCc1c[nH]c2c1cc(Cl)cc2
• InChI: InChI=1S/C20H19ClN2O2/c21-16-3-4-18-17(11-16)15(12-23-18)5-7-22-20(24)10-13-1-2-14-6-8-25-19(14)9-13/h1-4,9,11-12,23H,5-8,10H2,(H,22,24)
• InChIKey: RZZCFOSPCRTZGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2,3-dihydro-1-benzofuran-6-yl)acetamide
• IUPAC Traditional name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2,3-dihydro-1-benzofuran-6-yl)acetamide

Database IDs

• PubChem SID: 164282749
• PubChem CID: 71753988

CALCULATED PROPERTIES

• Acid pKa: 14.937566
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.6258857
• LogD (pH = 7.4): 3.6258857
• Log P: 3.6258857
• Molar Refractivity: 99.1162 cm^3
• Polarizability: 39.10986 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds