N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide

C20H16F4N4O2 — CID 67743487

IUPACN-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
SMILESCCc1nccc(NC(=O)Cc2ccc(Oc3ncc(C(F)(F)F)cc3F)cc2)n1
InChIInChI=1S/C20H16F4N4O2/c1-2-16-25-8-7-17(27-16)28-18(29)9-12-3-5-14(6-4-12)30-19-15(21)10-13(11-26-19)20(22,23)24/h3-8,10-11H,2,9H2,1H3,(H,25,27,28,29)
InChIKeyYDRKOBBCODHBGH-UHFFFAOYSA-N
MW420.37 g/mol
LogP4.57
Rot. Bonds6

About N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide

N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide (PubChem CID 67743487) has the molecular formula C20H16F4N4O2 and a molecular weight of 420.37 g/mol. Its IUPAC name is N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
PubChem CID67743487
Molecular FormulaC20H16F4N4O2
Molecular Weight420.37 g/mol
Exact Mass420.12
IUPAC NameN-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
SMILESCCc1nccc(NC(=O)Cc2ccc(Oc3ncc(C(F)(F)F)cc3F)cc2)n1
InChIInChI=1S/C20H16F4N4O2/c1-2-16-25-8-7-17(27-16)28-18(29)9-12-3-5-14(6-4-12)30-19-15(21)10-13(11-26-19)20(22,23)24/h3-8,10-11H,2,9H2,1H3,(H,25,27,28,29)
InChIKeyYDRKOBBCODHBGH-UHFFFAOYSA-N
XLogP4.57
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide?
The IUPAC name of N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide (CID 67743487) is N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide.
What is the SMILES notation for N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide?
The canonical SMILES for N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide is CCc1nccc(NC(=O)Cc2ccc(Oc3ncc(C(F)(F)F)cc3F)cc2)n1.
What is the InChIKey of N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide?
The InChIKey is YDRKOBBCODHBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O2/c1-2-16-25-8-7-17(27-16)28-18(29)9-12-3-5-14(6-4-12)30-19-15(21)10-13(11-26-19)20(22,23)24/h3-8,10-11H,2,9H2,1H3,(H,25,27,28,29).
What are the key properties of N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide?
N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide has a molecular weight of 420.37 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrimidin-4-yl)-2-[4-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide is sourced from PubChem (CID 67743487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).