A1DFD
Summary
| Name: | 3-(2-chloroacetamido)-N-(pyridin-2-yl)benzamide |
| Formula: | C14 H12 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 289.717 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-(2-chloroacetamido)-N-(pyridin-2-yl)benzamide |
| OpenEye OEToolkits | 3.1.0.0 | 3-(2-chloranylethanoylamino)-~{N}-pyridin-2-yl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1ccccn1)c1cccc(NC(=O)CCl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H12ClN3O2/c15-9-13(19)17-11-5-3-4-10(8-11)14(20)18-12-6-1-2-7-16-12/h1-8H,9H2,(H,17,19)(H,16,18,20) |
| InChIKey | InChI | 1.06 | AWMRHRCEJUNJFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)Nc1cccc(c1)C(=O)Nc2ccccn2 |
| SMILES | CACTVS | 3.385 | ClCC(=O)Nc1cccc(c1)C(=O)Nc2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccnc(c1)NC(=O)c2cccc(c2)NC(=O)CCl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccnc(c1)NC(=O)c2cccc(c2)NC(=O)CCl |
