LBC
Summary
| Name: | 2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| Formula: | C14 H13 I N2 O |
| Formal charge: | 0 |
| Formula weight: | 352.17 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-iodanylphenyl)-~{N}-(4-methylpyridin-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)Cc1cccc(I)c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H13IN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.06 | MUVSGYUDBWMCJG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cccc(I)c2 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cccc(I)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cccc(c2)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cccc(c2)I |
