2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C20H16ClF3N2O2 — CID 55824024

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C20H16ClF3N2O2/c1-26(11-13-5-2-3-7-15(13)20(22,23)24)18(27)12-28-17-9-8-16(21)14-6-4-10-25-19(14)17/h2-10H,11-12H2,1H3
InChIKeyALPXFHWQILUXST-UHFFFAOYSA-N
MW408.81 g/mol
LogP4.94
Rot. Bonds5

About 2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 55824024) has the molecular formula C20H16ClF3N2O2 and a molecular weight of 408.81 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID55824024
Molecular FormulaC20H16ClF3N2O2
Molecular Weight408.81 g/mol
Exact Mass408.09
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C20H16ClF3N2O2/c1-26(11-13-5-2-3-7-15(13)20(22,23)24)18(27)12-28-17-9-8-16(21)14-6-4-10-25-19(14)17/h2-10H,11-12H2,1H3
InChIKeyALPXFHWQILUXST-UHFFFAOYSA-N
XLogP4.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.81
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
CID 8716397
2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 51190547
N-methyl-2-(2-methylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047158
2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
CID 43243799
N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride
CID 119657984
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-(5-chloroquinolin-8-yl)oxy-N-[2-(2-methylphenyl)ethyl]acetamide
CID 9330887
3-[[2-(5-chloroquinolin-8-yl)oxyacetyl]-ethylamino]propanoic acid
CID 120516814
N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55550790
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55549890
2-(5-chloroquinolin-8-yl)oxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 55525311

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 55824024) is 2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is CN(Cc1ccccc1C(F)(F)F)C(=O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is ALPXFHWQILUXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O2/c1-26(11-13-5-2-3-7-15(13)20(22,23)24)18(27)12-28-17-9-8-16(21)14-6-4-10-25-19(14)17/h2-10H,11-12H2,1H3.
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 408.81 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55824024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).