2NL
Summary
| Name: | 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide |
| Formula: | C14 H14 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 291.733 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide |
| OpenEye OEToolkits | 1.9.2 | 2-[3-[(4-chloranylpyridin-2-yl)amino]phenoxy]-N-methyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC)COc2cc(Nc1nccc(Cl)c1)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H14ClN3O2/c1-16-14(19)9-20-12-4-2-3-11(8-12)18-13-7-10(15)5-6-17-13/h2-8H,9H2,1H3,(H,16,19)(H,17,18) |
| InChIKey | InChI | 1.03 | CPVIJBMDWOGCHR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)COc1cccc(Nc2cc(Cl)ccn2)c1 |
| SMILES | CACTVS | 3.385 | CNC(=O)COc1cccc(Nc2cc(Cl)ccn2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNC(=O)COc1cccc(c1)Nc2cc(ccn2)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNC(=O)COc1cccc(c1)Nc2cc(ccn2)Cl |
