3-(8-bromonaphthalene-1-carbonyl)-1-pentyl-1H-indole

• ChemBase ID: 127959
• Molecular Formular: C24H22BrNO
• Molecular Mass: 420.34158
• Monoisotopic Mass: 419.08847633
• SMILES: c1cccc2c1n(CCCCC)cc2C(=O)c1c2c(Br)cccc2ccc1
• Canonical SMILES: CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1c(Br)ccc2
• InChI: InChI=1S/C24H22BrNO/c1-2-3-6-15-26-16-20(18-11-4-5-14-22(18)26)24(27)19-12-7-9-17-10-8-13-21(25)23(17)19/h4-5,7-14,16H,2-3,6,15H2,1H3
• InChIKey: QXZYVJRMQVOOEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(8-bromonaphthalene-1-carbonyl)-1-pentyl-1H-indole
• IUPAC Traditional name: 3-(8-bromonaphthalene-1-carbonyl)-1-pentylindole
• Synonyms: JWH-424

Database IDs

• PubChem SID: 162222275
• PubChem CID: 57458937
• Wikipedia Title: JWH-424

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.281734
• LogD (pH = 7.4): 7.281734
• Log P: 7.281734
• Molar Refractivity: 115.1643 cm^3
• Polarizability: 46.483036 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false