Q2G
Summary
| Name: | N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea |
| Formula: | C13 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 261.707 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea |
| OpenEye OEToolkits | 2.0.7 | 1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)Nc1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C13H12ClN3O/c1-9-5-6-15-8-12(9)17-13(18)16-11-4-2-3-10(14)7-11/h2-8H,1H3,(H2,16,17,18) |
| InChIKey | InChI | 1.06 | SXMQMOJIKMECGG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)Nc2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)Nc2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Nc2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Nc2cccc(c2)Cl |
