1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone

C18H11F4N3O2 — CID 58318703

IUPAC1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(C(F)(F)F)ccn1)c1cc(F)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H11F4N3O2/c19-13-3-11(4-15(6-13)27-16-8-23-10-24-9-16)17(26)7-14-5-12(1-2-25-14)18(20,21)22/h1-6,8-10H,7H2
InChIKeyKGAQURUPNNUKFS-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.25
Rot. Bonds5

About 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone

1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 58318703) has the molecular formula C18H11F4N3O2 and a molecular weight of 377.30 g/mol. Its IUPAC name is 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID58318703
Molecular FormulaC18H11F4N3O2
Molecular Weight377.30 g/mol
Exact Mass377.08
IUPAC Name1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(C(F)(F)F)ccn1)c1cc(F)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H11F4N3O2/c19-13-3-11(4-15(6-13)27-16-8-23-10-24-9-16)17(26)7-14-5-12(1-2-25-14)18(20,21)22/h1-6,8-10H,7H2
InChIKeyKGAQURUPNNUKFS-UHFFFAOYSA-N
XLogP4.25
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide
CID 51033560
1-[(2,4-Difluorophenyl)methyl]-6-[[2-(trifluoromethyl)-3-pyridyl]oxy]quinazolin-4-one
CID 58439561
3-fluoro-N-(5-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936731
3-fluoro-N-(6-methoxy-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936736
3-chloro-N-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-5-pyrimidin-5-yloxybenzamide
CID 69936790
3-fluoro-5-pyrimidin-5-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 69936803
3-chloro-N-[6-(difluoromethyl)-5-fluoropyridin-2-yl]-5-pyrimidin-5-yloxybenzamide
CID 69936808
3-fluoro-N-(6-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936858
N-[6-(difluoromethyl)pyridin-2-yl]-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936867
3-fluoro-N-pyridin-2-yl-5-pyrimidin-5-yloxybenzamide
CID 69936868
N-(4-chloro-2-pyridinyl)-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936872
3-chloro-N-(5-fluoro-6-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936909

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone (CID 58318703) is 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cc(C(F)(F)F)ccn1)c1cc(F)cc(Oc2cncnc2)c1.
What is the InChIKey of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is KGAQURUPNNUKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O2/c19-13-3-11(4-15(6-13)27-16-8-23-10-24-9-16)17(26)7-14-5-12(1-2-25-14)18(20,21)22/h1-6,8-10H,7H2.
What are the key properties of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 377.30 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 58318703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).