M5I
Summary
| Name: | N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide |
| Formula: | C14 H13 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 260.719 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Cc1cnccc1C)Nc1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H13ClN2O/c1-10-5-6-16-9-11(10)7-14(18)17-13-4-2-3-12(15)8-13/h2-6,8-9H,7H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.06 | VKQLRXLEZSWDDW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1CC(=O)Nc2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1CC(=O)Nc2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1CC(=O)Nc2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1CC(=O)Nc2cccc(c2)Cl |
