LDX
Summary
| Name: | 3-(2-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide |
| Formula: | C15 H15 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 258.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | 3-(2-fluorophenyl)-~{N}-(4-methylpyridin-3-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)CCc1ccccc1F |
| InChI | InChI | 1.06 | InChI=1S/C15H15FN2O/c1-11-8-9-17-10-14(11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-5,8-10H,6-7H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.06 | QOFPSTBMBIOUPW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)CCc2ccccc2F |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)CCc2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CCc2ccccc2F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CCc2ccccc2F |
