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 | |
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Formal Charge | 0 |
Atom Count | 48 |
Chiral Atom Count | 0 |
Bond Count | 50 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 2-(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 |
Formula | C20 H22 Cl2 N2 O2 |
Molecular Weight | 393.307 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3ccc(OCC(=O)Nc1ccc(cc1)CN2CCCCC2)c(Cl)c3 |
SMILES | CACTVS | 3.385 | Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl |
Canonical SMILES | CACTVS | 3.385 | Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1 |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl |
InChI | InChI | 1.03 | 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) |
InChIKey | InChI | 1.03 | KHNVQJDWUHRVDK-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL1459580 |
PubChem | 1395053 |
ChEMBL | CHEMBL1459580 |