N-(2-bromophenyl)-2-(1-methoxyindol-3-yl)acetamide
PubChem CID: 141490301
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| Compound Synonyms | CHEMBL4784960, N-(2-bromophenyl)-2-(1-methoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 393.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-bromophenyl)-2-(1-methoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C17H15BrN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VWRZTOYDCPWJOE-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -5.427 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.632 |
| Compound Name | N-(2-bromophenyl)-2-(1-methoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.032 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 359.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.0797280545454555 |
| Inchi | InChI=1S/C17H15BrN2O2/c1-22-20-11-12(13-6-2-5-9-16(13)20)10-17(21)19-15-8-4-3-7-14(15)18/h2-9,11H,10H2,1H3,(H,19,21) |
| Smiles | CON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3Br |
| 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