5VU
Summary
| Name: | N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide |
| Formula: | C11 H12 F2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 226.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide |
| OpenEye OEToolkits | 1.7.6 | N-[2,4-bis(fluoranyl)phenyl]pyrrolidine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccc(F)cc1F)N2CCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H12F2N2O/c12-8-3-4-10(9(13)7-8)14-11(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,14,16) |
| InChIKey | InChI | 1.03 | CPBDOIXLUULXND-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(NC(=O)N2CCCC2)c(F)c1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(NC(=O)N2CCCC2)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1F)F)NC(=O)N2CCCC2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1F)F)NC(=O)N2CCCC2 |
