KOI
Summary
| Name: | 2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide |
| Formula: | C13 H11 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 246.692 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-pyridin-3-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cccnc1)Cc1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C13H11ClN2O/c14-11-4-1-3-10(7-11)8-13(17)16-12-5-2-6-15-9-12/h1-7,9H,8H2,(H,16,17) |
| InChIKey | InChI | 1.06 | JXVSAHMJMLDNGG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2cccnc2)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2cccnc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cccnc2 |
