JOV
Summary
| Name: | 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide |
| Formula: | C11 H14 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 227.687 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide |
| OpenEye OEToolkits | 2.0.6 | 3-chloranyl-~{N}-(2-methyl-1-oxidanyl-propan-2-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1C(NC(C)(CO)C)=O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15) |
| InChIKey | InChI | 1.03 | XZDXDRPMHCVWBK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(CO)NC(=O)c1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | CC(C)(CO)NC(=O)c1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(CO)NC(=O)c1cccc(c1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(CO)NC(=O)c1cccc(c1)Cl |
