KYU
Summary
| Name: | 2-(3-chlorophenyl)-2,2-difluoro-N-(4-methylpyridin-3-yl)acetamide |
| Formula: | C14 H11 Cl F2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 296.7 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chlorophenyl)-2,2-difluoro-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-2,2-bis(fluoranyl)-~{N}-(4-methylpyridin-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)C(F)(F)c1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H11ClF2N2O/c1-9-5-6-18-8-12(9)19-13(20)14(16,17)10-3-2-4-11(15)7-10/h2-8H,1H3,(H,19,20) |
| InChIKey | InChI | 1.06 | IIKFZOGWCHXLNB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)C(F)(F)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)C(F)(F)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)(F)F |
