246
Summary
| Name: | 1-benzyl-3-(2-chloropyridin-4-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 | 10.04 | 1-benzyl-3-(2-chloropyridin-4-yl)urea |
| OpenEye OEToolkits | 1.5.0 | 1-(2-chloropyridin-4-yl)-3-(phenylmethyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2nccc(NC(=O)NCc1ccccc1)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1cc(NC(=O)NCc2ccccc2)ccn1 |
| SMILES | CACTVS | 3.341 | Clc1cc(NC(=O)NCc2ccccc2)ccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNC(=O)Nc2ccnc(c2)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNC(=O)Nc2ccnc(c2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C13H12ClN3O/c14-12-8-11(6-7-15-12)17-13(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16,17,18) |
| InChIKey | InChI | 1.03 | XDVQQOIDSVMNNN-UHFFFAOYSA-N |
