IJX
~{N}-(4-bromophenyl)ethanamide
| Created: | 2022-03-22 |
| Last modified: | 2022-11-23 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 19 |
| Chiral Atom Count | 0 |
| Bond Count | 19 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | ~{N}-(4-bromophenyl)ethanamide |
| Systematic Name (OpenEye OEToolkits) | ~{N}-(4-bromophenyl)ethanamide |
| Formula | C8 H8 Br N O |
| Molecular Weight | 214.059 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(Br)cc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)Br |
| Canonical SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(Br)cc1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)Br |
| InChI | InChI | 1.06 | InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | MSLICLMCQYQNPK-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 7683 |
| ChEMBL | CHEMBL59019 |
| CCDC/CSD | BRACTN02, BRACTN01, MEWFUR, BRACTN |
| COD | 2237564 |
