N-(2-chlorophenyl)-2-(1-pentoxyindol-3-yl)acetamide
PubChem CID: 141490280
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| Compound Synonyms | CHEMBL4796981, N-(2-chlorophenyl)-2-(1-pentoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-chlorophenyl)-2-(1-pentoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C21H23ClN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UFJRIXDICFGUHY-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -6.494 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.531 |
| Compound Name | N-(2-chlorophenyl)-2-(1-pentoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.145 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.145 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 370.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.900279076923076 |
| Inchi | InChI=1S/C21H23ClN2O2/c1-2-3-8-13-26-24-15-16(17-9-4-7-12-20(17)24)14-21(25)23-19-11-6-5-10-18(19)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3,(H,23,25) |
| Smiles | CCCCCON1C=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