1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone

C18H11ClF3N3O2 — CID 58318842

IUPAC1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc(F)c(C(F)F)n1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H11ClF3N3O2/c19-11-3-10(4-13(5-11)27-14-7-23-9-24-8-14)16(26)6-12-1-2-15(20)17(25-12)18(21)22/h1-5,7-9,18H,6H2
InChIKeyHLLIWCALSSITQZ-UHFFFAOYSA-N
MW393.75 g/mol
LogP4.82
Rot. Bonds6

About 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone (PubChem CID 58318842) has the molecular formula C18H11ClF3N3O2 and a molecular weight of 393.75 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone
PubChem CID58318842
Molecular FormulaC18H11ClF3N3O2
Molecular Weight393.75 g/mol
Exact Mass393.05
IUPAC Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc(F)c(C(F)F)n1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H11ClF3N3O2/c19-11-3-10(4-13(5-11)27-14-7-23-9-24-8-14)16(26)6-12-1-2-15(20)17(25-12)18(21)22/h1-5,7-9,18H,6H2
InChIKeyHLLIWCALSSITQZ-UHFFFAOYSA-N
XLogP4.82
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.75
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone with MolForge

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Related Compounds

3-chloro-N-(4-fluoropyridin-2-yl)-5-(pyrimidin-5-yloxy)benzamide
CID 67236730
3-chloro-N-(6-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936689
3-chloro-N-[6-(fluoromethyl)-2-pyridinyl]-5-pyrimidin-5-yloxybenzamide
CID 69936691
3-chloro-N-(6-methoxy-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936716
3-chloro-N-(6-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936726
3-chloro-N-(5-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936777
3-chloro-N-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-5-pyrimidin-5-yloxybenzamide
CID 69936790
3-chloro-N-[6-(difluoromethyl)-5-fluoropyridin-2-yl]-5-pyrimidin-5-yloxybenzamide
CID 69936808
N-[6-(difluoromethyl)pyridin-2-yl]-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936867
N-(4-chloro-2-pyridinyl)-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936872
3-chloro-N-(4-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936906
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-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone?
The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone (CID 58318842) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone?
The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone is O=C(Cc1ccc(F)c(C(F)F)n1)c1cc(Cl)cc(Oc2cncnc2)c1.
What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone?
The InChIKey is HLLIWCALSSITQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O2/c19-11-3-10(4-13(5-11)27-14-7-23-9-24-8-14)16(26)6-12-1-2-15(20)17(25-12)18(21)22/h1-5,7-9,18H,6H2.
What are the key properties of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone?
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone has a molecular weight of 393.75 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]ethanone is sourced from PubChem (CID 58318842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).