LKU
Summary
| Name: | 3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide |
| Formula: | C14 H12 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 245.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide |
| OpenEye OEToolkits | 2.0.7 | 3-fluoranyl-~{N}-(4-methyl-3-oxidanyl-phenyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccc(NC(=O)c2cccc(F)c2)cc1O |
| InChI | InChI | 1.03 | InChI=1S/C14H12FNO2/c1-9-5-6-12(8-13(9)17)16-14(18)10-3-2-4-11(15)7-10/h2-8,17H,1H3,(H,16,18) |
| InChIKey | InChI | 1.03 | HSWJYBWHEHPWSP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(NC(=O)c2cccc(F)c2)cc1O |
| SMILES | CACTVS | 3.385 | Cc1ccc(NC(=O)c2cccc(F)c2)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1O)NC(=O)c2cccc(c2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1O)NC(=O)c2cccc(c2)F |
