N-(2-chlorophenyl)-2-(1-octoxyindol-3-yl)acetamide
PubChem CID: 141490271
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| Compound Synonyms | CHEMBL4799554, N-(2-chlorophenyl)-2-(1-octoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 490.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-chlorophenyl)-2-(1-octoxyindol-3-yl)acetamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 7.2 |
| Is Pains | False |
| Molecular Formula | C24H29ClN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HZTNGXBCCSMOAD-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Rotatable Bond Count | 11.0 |
| Compound Name | N-(2-chlorophenyl)-2-(1-octoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 412.192 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 412.192 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 412.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.939616820689656 |
| Inchi | InChI=1S/C24H29ClN2O2/c1-2-3-4-5-6-11-16-29-27-18-19(20-12-7-10-15-23(20)27)17-24(28)26-22-14-9-8-13-21(22)25/h7-10,12-15,18H,2-6,11,16-17H2,1H3,(H,26,28) |
| Smiles | CCCCCCCCON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3Cl |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients