UHA
Summary
Name: | (2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide |
Formula: | C15 H15 Cl N2 O |
Formal charge: | 0 |
Formula weight: | 274.745 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide |
OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(3-chlorophenyl)-~{N}-(4-methylpyridin-3-yl)propanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1ccc(C)c(c1)NC(C(c2cccc(Cl)c2)C)=O |
InChI | InChI | 1.03 | InChI=1S/C15H15ClN2O/c1-10-6-7-17-9-14(10)18-15(19)11(2)12-4-3-5-13(16)8-12/h3-9,11H,1-2H3,(H,18,19)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | WNGGAWMEODUSED-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2 |
SMILES | CACTVS | 3.385 | C[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@H](C)c2cccc(c2)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C(C)c2cccc(c2)Cl |