A1AYP
Summary
| Name: | N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide |
| Formula: | C12 H11 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 218.227 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4-fluorophenyl)methyl]-1~{H}-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCc1ccc(F)cc1)c1ccc[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C12H11FN2O/c13-10-5-3-9(4-6-10)8-15-12(16)11-2-1-7-14-11/h1-7,14H,8H2,(H,15,16) |
| InChIKey | InChI | 1.06 | ISDNXPQCMNXNMI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(CNC(=O)c2[nH]ccc2)cc1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(CNC(=O)c2[nH]ccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc([nH]c1)C(=O)NCc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc([nH]c1)C(=O)NCc2ccc(cc2)F |
