2-(1-propoxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID: 141490306
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(1-propoxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide, CHEMBL4788653, OQCFNACIDWDFOS-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 500.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-propoxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C20H19F3N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OQCFNACIDWDFOS-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.557 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.117 |
| Compound Name | 2-(1-propoxyindol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.14 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.14 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 376.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.575054711111112 |
| Inchi | InChI=1S/C20H19F3N2O2/c1-2-11-27-25-13-14(15-7-3-6-10-18(15)25)12-19(26)24-17-9-5-4-8-16(17)20(21,22)23/h3-10,13H,2,11-12H2,1H3,(H,24,26) |
| Smiles | CCCON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3C(F)(F)F |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients