MKI
Summary
| Name: | 2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide |
| Formula: | C15 H15 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 274.745 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-methyl-~{N}-(4-methylpyridin-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C15H15ClN2O/c1-11-6-7-17-10-14(11)18(2)15(19)9-12-4-3-5-13(16)8-12/h3-8,10H,9H2,1-2H3 |
| InChIKey | InChI | 1.06 | KTTFDHLIVPVQIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C(=O)Cc1cccc(Cl)c1)c2cnccc2C |
| SMILES | CACTVS | 3.385 | CN(C(=O)Cc1cccc(Cl)c1)c2cnccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1N(C)C(=O)Cc2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1N(C)C(=O)Cc2cccc(c2)Cl |
