A1JFV
Summary
| Name: | ~{N}-[3-(aminomethyl)phenyl]-4-fluoranyl-benzamide |
| Formula: | C14 H13 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 244.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(aminomethyl)phenyl]-4-fluoranyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H13FN2O/c15-12-6-4-11(5-7-12)14(18)17-13-3-1-2-10(8-13)9-16/h1-8H,9,16H2,(H,17,18) |
| InChIKey | InChI | 1.06 | BXXGLZQHWVCWBM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cccc(NC(=O)c2ccc(F)cc2)c1 |
| SMILES | CACTVS | 3.385 | NCc1cccc(NC(=O)c2ccc(F)cc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)NC(=O)c2ccc(cc2)F)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)NC(=O)c2ccc(cc2)F)CN |
