N-(2-chlorophenyl)-2-(1-nonoxyindol-3-yl)acetamide
PubChem CID: 141490361
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| Compound Synonyms | CHEMBL4782634, N-(2-chlorophenyl)-2-(1-nonoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 504.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-chlorophenyl)-2-(1-nonoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 7.8 |
| Molecular Formula | C25H31ClN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SVTDWUGKDLHAJP-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -7.024 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.947 |
| Compound Name | N-(2-chlorophenyl)-2-(1-nonoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 426.207 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.207 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 427.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.2880256 |
| Inchi | InChI=1S/C25H31ClN2O2/c1-2-3-4-5-6-7-12-17-30-28-19-20(21-13-8-11-16-24(21)28)18-25(29)27-23-15-10-9-14-22(23)26/h8-11,13-16,19H,2-7,12,17-18H2,1H3,(H,27,29) |
| Smiles | CCCCCCCCCON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3Cl |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients