N3I
Summary
| Name: | 2-(3-chloro-5-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide |
| Formula: | C15 H15 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 290.745 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chloro-5-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chloranyl-5-methoxy-phenyl)-~{N}-(4-methylpyridin-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)Cc1cc(OC)cc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C15H15ClN2O2/c1-10-3-4-17-9-14(10)18-15(19)7-11-5-12(16)8-13(6-11)20-2/h3-6,8-9H,7H2,1-2H3,(H,18,19) |
| InChIKey | InChI | 1.06 | WXCJKPMYIYFEDR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1 |
| SMILES | CACTVS | 3.385 | COc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OC |
