A1CVM
Summary
| Name: | 2-chloro-N-[(pyridin-2-yl)methyl]benzamide |
| Formula: | C13 H11 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 246.692 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-chloro-N-[(pyridin-2-yl)methyl]benzamide |
| OpenEye OEToolkits | 3.1.0.0 | 2-chloranyl-~{N}-(pyridin-2-ylmethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccccc1C(=O)NCc1ccccn1 |
| InChI | InChI | 1.06 | InChI=1S/C13H11ClN2O/c14-12-7-2-1-6-11(12)13(17)16-9-10-5-3-4-8-15-10/h1-8H,9H2,(H,16,17) |
| InChIKey | InChI | 1.06 | XKXMLNIPBUIQLH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1C(=O)NCc2ccccn2 |
| SMILES | CACTVS | 3.385 | Clc1ccccc1C(=O)NCc2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)C(=O)NCc2ccccn2)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)C(=O)NCc2ccccn2)Cl |
