LR5

4-(trifluoromethyl)benzamide

Created:	2019-09-02
Last modified:	2020-09-30

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1 entries where LR5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of LR5

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Chemical Component Summary
Name	4-(trifluoromethyl)benzamide
Systematic Name (OpenEye OEToolkits)	4-(trifluoromethyl)benzamide
Formula	C₈ H₆ F₃ N O
Molecular Weight	189.135
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1ccc(cc1)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)N)C(F)(F)F
Canonical SMILES	CACTVS	3.385	NC(=O)c1ccc(cc1)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)N)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
InChIKey	InChI	1.03	WEJHBEDHLLBJFW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	74684
ChEMBL	CHEMBL4065573
CCDC/CSD	VUMHOC
COD	4085828

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.