N-(2-chlorophenyl)-2-[1-(2-phenylethoxy)indol-3-yl]acetamide
PubChem CID: 155923800
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| Compound Synonyms | CHEMBL4796340, N-(2-chlorophenyl)-2-[1-(2-phenylethoxy)indol-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 | 525.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-chlorophenyl)-2-[1-(2-phenylethoxy)indol-3-yl]acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C24H21ClN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SSJASVMFJLTUOS-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -6.523 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.471 |
| Compound Name | N-(2-chlorophenyl)-2-[1-(2-phenylethoxy)indol-3-yl]acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 404.129 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 404.129 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 404.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.386923468965518 |
| Inchi | InChI=1S/C24H21ClN2O2/c25-21-11-5-6-12-22(21)26-24(28)16-19-17-27(23-13-7-4-10-20(19)23)29-15-14-18-8-2-1-3-9-18/h1-13,17H,14-16H2,(H,26,28) |
| Smiles | C1=CC=C(C=C1)CCON2C=C(C3=CC=CC=C32)CC(=O)NC4=CC=CC=C4Cl |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients