A1AYL
Summary
| Name: | N-(3,4-difluorophenyl)cyclobutanecarboxamide |
| Formula: | C11 H11 F2 N O |
| Formal charge: | 0 |
| Formula weight: | 211.208 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3,4-difluorophenyl)cyclobutanecarboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3,4-bis(fluoranyl)phenyl]cyclobutanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc(F)c(F)cc1)C1CCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H11F2NO/c12-9-5-4-8(6-10(9)13)14-11(15)7-2-1-3-7/h4-7H,1-3H2,(H,14,15) |
| InChIKey | InChI | 1.06 | XASPAHIFZGPPJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(NC(=O)C2CCC2)cc1F |
| SMILES | CACTVS | 3.385 | Fc1ccc(NC(=O)C2CCC2)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1NC(=O)C2CCC2)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1NC(=O)C2CCC2)F)F |
