J5D
Summary
| Name: | N-[(4-fluoro-3-methylphenyl)methyl]acetamide |
| Formula: | C10 H12 F N O |
| Formal charge: | 0 |
| Formula weight: | 181.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4-fluoro-3-methylphenyl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-fluoranyl-3-methyl-phenyl)methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)NCc1cc(c(cc1)F)C |
| InChI | InChI | 1.03 | InChI=1S/C10H12FNO/c1-7-5-9(3-4-10(7)11)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13) |
| InChIKey | InChI | 1.03 | GEEDCVIVOYJQIC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1ccc(F)c(C)c1 |
| SMILES | CACTVS | 3.385 | CC(=O)NCc1ccc(F)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1F)CNC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1F)CNC(=O)C |
