VL8
Summary
| Name: | (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide |
| Formula: | C11 H13 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 262.132 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[3,4-bis(chloranyl)phenoxy]-~{N}-methyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(OC(CC)C(=O)NC)cc1Cl |
| InChI | InChI | 1.06 | InChI=1S/C11H13Cl2NO2/c1-3-10(11(15)14-2)16-7-4-5-8(12)9(13)6-7/h4-6,10H,3H2,1-2H3,(H,14,15)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | CWZMYVACWFQQKV-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC |
| SMILES | CACTVS | 3.385 | CC[CH](Oc1ccc(Cl)c(Cl)c1)C(=O)NC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](C(=O)NC)Oc1ccc(c(c1)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C(=O)NC)Oc1ccc(c(c1)Cl)Cl |
