2-(1-butoxyindol-3-yl)-N-(2-chlorophenyl)acetamide
PubChem CID: 141490330
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| Compound Synonyms | CHEMBL4777692, 2-(1-butoxyindol-3-yl)-N-(2-chlorophenyl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-butoxyindol-3-yl)-N-(2-chlorophenyl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C20H21ClN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JXKXRXMSXRJEFS-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -6.129 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.353 |
| Compound Name | 2-(1-butoxyindol-3-yl)-N-(2-chlorophenyl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.129 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.129 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 356.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.549888600000001 |
| Inchi | InChI=1S/C20H21ClN2O2/c1-2-3-12-25-23-14-15(16-8-4-7-11-19(16)23)13-20(24)22-18-10-6-5-9-17(18)21/h4-11,14H,2-3,12-13H2,1H3,(H,22,24) |
| Smiles | CCCCON1C=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