N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide

C20H14F6N2O3 — CID 162620602

IUPACN-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1OC1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C20H14F6N2O3/c21-19(22,23)11-1-4-14(5-2-11)31-16-6-3-12(20(24,25)26)9-15(16)18(30)28-13-7-8-27-17(29)10-13/h1,3-4,6-10H,2,5H2,(H2,27,28,29,30)
InChIKeyOPNIJPXGOIZNOO-UHFFFAOYSA-N
MW444.33 g/mol
LogP5.19
Rot. Bonds4

About N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide

N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide (PubChem CID 162620602) has the molecular formula C20H14F6N2O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide
PubChem CID162620602
Molecular FormulaC20H14F6N2O3
Molecular Weight444.33 g/mol
Exact Mass444.09
IUPAC NameN-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1OC1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C20H14F6N2O3/c21-19(22,23)11-1-4-14(5-2-11)31-16-6-3-12(20(24,25)26)9-15(16)18(30)28-13-7-8-27-17(29)10-13/h1,3-4,6-10H,2,5H2,(H2,27,28,29,30)
InChIKeyOPNIJPXGOIZNOO-UHFFFAOYSA-N
XLogP5.19
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.33
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 78323102
4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 160785317
N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-(2,4,5-trimethylphenoxy)benzamide;2,4,5-trimethylphenol
CID 158204256
N-(2-oxo-1H-pyridin-4-yl)-2-(4-propoxyphenoxy)-5-(trifluoromethyl)benzamide
CID 78323101
N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide
CID 90302339
2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide
CID 118126608
N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
CID 90034791
2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 90034823
2-[(2-methyl-3-pyridinyl)oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 90034856
2-[2-(3-amino-3-oxopropyl)-4-fluorophenoxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 175359905
(6R)-N-(2-oxo-1H-pyridin-4-yl)-6-[(E)-prop-1-enoxy]-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 126636745
4-methylphenol;2-(4-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethoxy)benzamide
CID 157153109

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide?
The IUPAC name of N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide (CID 162620602) is N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide.
What is the SMILES notation for N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide?
The canonical SMILES for N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide is O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1OC1=CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide?
The InChIKey is OPNIJPXGOIZNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2O3/c21-19(22,23)11-1-4-14(5-2-11)31-16-6-3-12(20(24,25)26)9-15(16)18(30)28-13-7-8-27-17(29)10-13/h1,3-4,6-10H,2,5H2,(H2,27,28,29,30).
What are the key properties of N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide?
N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide has a molecular weight of 444.33 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide is sourced from PubChem (CID 162620602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).