N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide

C20H14F6N2O3 — CID 126636503

IUPACN-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide
SMILESO=C1CC(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(C(F)(F)F)cc2)C=CN1
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/h1-9,13H,10H2,(H,27,29)(H,28,30)
InChIKeyLXEAKYVOAISQCR-UHFFFAOYSA-N
MW444.33 g/mol
LogP4.65
Rot. Bonds4

About N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide

N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide (PubChem CID 126636503) has the molecular formula C20H14F6N2O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound NameN-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide
PubChem CID126636503
Molecular FormulaC20H14F6N2O3
Molecular Weight444.33 g/mol
Exact Mass444.09
IUPAC NameN-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide
SMILESO=C1CC(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(C(F)(F)F)cc2)C=CN1
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/h1-9,13H,10H2,(H,27,29)(H,28,30)
InChIKeyLXEAKYVOAISQCR-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
CID 112500121
2-(2-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
CID 112500113
4-[[2-[4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzoyl]amino]cyclohexa-1,5-diene-1-carboxylic acid
CID 138748533
4-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzoyl]amino]benzoic acid
CID 138748534
N-(2-oxo-1H-pyridin-4-yl)-2-(4-propoxyphenoxy)-5-(trifluoromethyl)benzamide
CID 78323101
5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 60987032
2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500065
[4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
CID 118139736
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 142414912
N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 2797721
N-(2-methylpiperidin-3-yl)-2-prop-2-enoxy-5-(trifluoromethyl)benzamide
CID 120577557

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide (CID 126636503) is N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide is O=C1CC(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(C(F)(F)F)cc2)C=CN1.
What is the InChIKey of N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is LXEAKYVOAISQCR-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/h1-9,13H,10H2,(H,27,29)(H,28,30).
What are the key properties of N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide?
N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 444.33 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 126636503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).