KK9
Summary
| Name: | N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide |
| Formula: | C16 H16 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 289.757 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16ClNO2/c1-3-16(19)18-13-7-4-11(2)15(10-13)20-14-8-5-12(17)6-9-14/h4-10H,3H2,1-2H3,(H,18,19) |
| InChIKey | InChI | 1.03 | BKDZWIAMJCUKRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1ccc(C)c(Oc2ccc(Cl)cc2)c1 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccc(C)c(Oc2ccc(Cl)cc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc(c(c1)Oc2ccc(cc2)Cl)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc(c(c1)Oc2ccc(cc2)Cl)C |
