N-(2-chlorophenyl)-2-(1-propoxyindol-3-yl)acetamide
PubChem CID: 141490298
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| Compound Synonyms | CHEMBL4777503, N-(2-chlorophenyl)-2-(1-propoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-chlorophenyl)-2-(1-propoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C19H19ClN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | URZMEZLSYZNYGL-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -5.783 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.152 |
| Compound Name | N-(2-chlorophenyl)-2-(1-propoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.114 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.114 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 342.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.326921200000001 |
| Inchi | InChI=1S/C19H19ClN2O2/c1-2-11-24-22-13-14(15-7-3-6-10-18(15)22)12-19(23)21-17-9-5-4-8-16(17)20/h3-10,13H,2,11-12H2,1H3,(H,21,23) |
| Smiles | CCCON1C=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