N-(2-chlorophenyl)-2-(1-ethoxyindol-3-yl)acetamide
PubChem CID: 141490364
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| Compound Synonyms | CHEMBL4787089, N-(2-chlorophenyl)-2-(1-ethoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-chlorophenyl)-2-(1-ethoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C18H17ClN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VZTBKEFUSXZHGH-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.049 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.812 |
| Compound Name | N-(2-chlorophenyl)-2-(1-ethoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.098 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.098 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 328.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.992162495652175 |
| Inchi | InChI=1S/C18H17ClN2O2/c1-2-23-21-12-13(14-7-3-6-10-17(14)21)11-18(22)20-16-9-5-4-8-15(16)19/h3-10,12H,2,11H2,1H3,(H,20,22) |
| Smiles | CCON1C=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