Molecule ID: 9889172

IUPAC Name: [1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanone

Description: The molecule is a member of the class of indoles that is 1H-indole which is substituted at position 1 by a 5-fluoropentyl group and a position 3 by an o-fluorobenzoyl group. It is a selective agonist for the CB1 cannabinoid receptor; Ki values for the CB1 and CB2 receptors are 0.08 and 1.44 nM, respectively. It has a role as a cannabinoid receptor agonist. It is a member of indoles, an aromatic ketone, an organoiodine compound, an organofluorine compound and a synthetic cannabinoid.

SMILES: O=C(c1ccccc1I)c1cn(CCCCCF)c2ccccc12

SELFIES: [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][I][C][=C][N][Branch1][#Branch1][C][C][C][C][C][F][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1]

InChI: InChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2

Molecular Properties:
- Polar Surface Area: 22.0 Ų
- LogP: 5.3