A1IDG
Summary
| Name: | ~{N}-[(4-chlorophenyl)methyl]-~{N}-(4-fluorophenyl)prop-2-enamide |
| Formula: | C16 H13 Cl F N O |
| Formal charge: | 0 |
| Formula weight: | 289.732 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4-chlorophenyl)methyl]-~{N}-(4-fluorophenyl)prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H13ClFNO/c1-2-16(20)19(15-9-7-14(18)8-10-15)11-12-3-5-13(17)6-4-12/h2-10H,1,11H2 |
| InChIKey | InChI | 1.06 | JSNIWFWYEFQRGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)N(Cc2ccc(Cl)cc2)C(=O)C=C |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)N(Cc2ccc(Cl)cc2)C(=O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC(=O)N(Cc1ccc(cc1)Cl)c2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(=O)N(Cc1ccc(cc1)Cl)c2ccc(cc2)F |
