A1CVP
Summary
| Name: | N-(2-cyano-4,6-difluorophenyl)acetamide |
| Formula: | C9 H6 F2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 196.154 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(2-cyano-4,6-difluorophenyl)acetamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[2-cyano-4,6-bis(fluoranyl)phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(C)Nc1c(cc(F)cc1F)C#N |
| InChI | InChI | 1.06 | InChI=1S/C9H6F2N2O/c1-5(14)13-9-6(4-12)2-7(10)3-8(9)11/h2-3H,1H3,(H,13,14) |
| InChIKey | InChI | 1.06 | BCORERVQXIHMTR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1c(F)cc(F)cc1C#N |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1c(F)cc(F)cc1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)Nc1c(cc(cc1F)F)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)Nc1c(cc(cc1F)F)C#N |
