SQG

2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide

Created:	2020-03-11
Last modified:	2020-07-22

Find Related PDB Entry
1 entries where SQG is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of SQG

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide
Systematic Name (OpenEye OEToolkits)	2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide
Formula	C₁₀ H₇ F₃ N₂ O₂
Molecular Weight	244.17
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1NC(=O)CC#N)OC(F)(F)F
Canonical SMILES	CACTVS	3.385	FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1NC(=O)CC#N)OC(F)(F)F
InChI	InChI	1.03	InChI=1S/C10H7F3N2O2/c11-10(12,13)17-8-3-1-7(2-4-8)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
InChIKey	InChI	1.03	RCYAMEKUNPRZAA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1223679

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.