3-(2-iodobenzoyl)-1-pentyl-1H-indole

• ChemBase ID: 125773
• Molecular Formular: C20H20INO
• Molecular Mass: 417.28337
• Monoisotopic Mass: 417.05896227
• SMILES: Ic1ccccc1C(=O)c1c2ccccc2n(c1)CCCCC
• Canonical SMILES: CCCCCn1cc(c2c1cccc2)C(=O)c1ccccc1I
• InChI: InChI=1S/C20H20INO/c1-2-3-8-13-22-14-17(15-9-5-7-12-19(15)22)20(23)16-10-4-6-11-18(16)21/h4-7,9-12,14H,2-3,8,13H2,1H3
• InChIKey: GAJBHYUAJOTAEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-iodobenzoyl)-1-pentyl-1H-indole
• IUPAC Traditional name: AM-679 (cannabinoid)
• Synonyms: AM-679 (cannabinoid)

Database IDs

• CAS Number: 335160-91-3
• PubChem SID: 162220120
• PubChem CID: 57458891
• Chemspider ID: 25991468
• Wikipedia Title: AM-679_(cannabinoid)

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.452449
• LogD (pH = 7.4): 6.452449
• Log P: 6.452449
• Molar Refractivity: 104.4538 cm^3
• Polarizability: 41.223137 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false