C8I
Summary
| Name: | (3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide |
| Formula: | C11 H14 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 243.687 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-(4-chlorophenyl)-~{N},5-bis(oxidanyl)pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)C(CCO)CC(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C11H14ClNO3/c12-10-3-1-8(2-4-10)9(5-6-14)7-11(15)13-16/h1-4,9,14,16H,5-7H2,(H,13,15)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | QBLNQHDMSLPBCU-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC[C@@H](CC(=O)NO)c1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | OCC[CH](CC(=O)NO)c1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@@H](CCO)CC(=O)NO)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(CCO)CC(=O)NO)Cl |
