Molecule ID: 589075

IUPAC Name: 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

Description: The molecule is a member of the class of indoles that is 2-methyltryptamine in which a hydrogen attached to the primary amino group has been replaced by a 2-fluorobenzoyl group. It is a cell-permeable inhibitor of actin assembly mediated by actin-related protein Arp2/3 complex which works by binding to Arp2/3 complex, stabilising the inactive state of the complex and preventing its movement into the active conformation. It is a member of indoles, an organofluorine compound and a member of benzamides.

SMILES: Cc1[nH]c2ccccc2c1CCN=C(O)c1ccccc1F

SELFIES: [C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]

InChI: InChI=1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)

Molecular Properties:
- Polar Surface Area: 44.9 Ų
- LogP: 3.8