GC8

2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide

Created: 2013-06-26
Last modified:  2016-03-02

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count50
Aromatic Bond Count12
2D diagram of GC8

Chemical Component Summary

Name2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide
Systematic Name (OpenEye OEToolkits)2-[2,4-bis(chloranyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]ethanamide
FormulaC20 H22 Cl2 N2 O2
Molecular Weight393.307
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Clc3ccc(OCC(=O)Nc1ccc(cc1)CN2CCCCC2)c(Cl)c3
SMILESCACTVS3.385Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1
SMILESOpenEye OEToolkits1.9.2c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl
Canonical SMILESCACTVS3.385 Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1
Canonical SMILESOpenEye OEToolkits1.9.2 c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl
InChIInChI1.03 InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)
InChIKeyInChI1.03 KHNVQJDWUHRVDK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1459580
PubChem 1395053
ChEMBL CHEMBL1459580