2-(1-benzyloxyindol-3-yl)-N-(2-chlorophenyl)acetamide
PubChem CID: 141490326
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| Compound Synonyms | CHEMBL4784334, 2-(1-benzyloxyindol-3-yl)-N-(2-chlorophenyl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 511.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-chlorophenyl)-2-(1-phenylmethoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C23H19ClN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WNLIFVAZTQLQQA-UHFFFAOYSA-N |
| Fcsp3 | 0.0869565217391304 |
| Logs | -1.514 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.08 |
| Compound Name | 2-(1-benzyloxyindol-3-yl)-N-(2-chlorophenyl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.114 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.114 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 390.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.095294 |
| Inchi | InChI=1S/C23H19ClN2O2/c24-20-11-5-6-12-21(20)25-23(27)14-18-15-26(22-13-7-4-10-19(18)22)28-16-17-8-2-1-3-9-17/h1-13,15H,14,16H2,(H,25,27) |
| Smiles | C1=CC=C(C=C1)CON2C=C(C3=CC=CC=C32)CC(=O)NC4=CC=CC=C4Cl |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients