2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone

C17H16Cl2FNO3 — CID 67812943

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone
SMILESCC(C)Oc1cc(C(=O)Cc2c(Cl)cncc2Cl)ccc1OCF
InChIInChI=1S/C17H16Cl2FNO3/c1-10(2)24-17-5-11(3-4-16(17)23-9-20)15(22)6-12-13(18)7-21-8-14(12)19/h3-5,7-8,10H,6,9H2,1-2H3
InChIKeyGSSUAIAGIYZUJT-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.91
Rot. Bonds7

About 2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone

2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone (PubChem CID 67812943) has the molecular formula C17H16Cl2FNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone
PubChem CID67812943
Molecular FormulaC17H16Cl2FNO3
Molecular Weight372.22 g/mol
Exact Mass371.05
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone
SMILESCC(C)Oc1cc(C(=O)Cc2c(Cl)cncc2Cl)ccc1OCF
InChIInChI=1S/C17H16Cl2FNO3/c1-10(2)24-17-5-11(3-4-16(17)23-9-20)15(22)6-12-13(18)7-21-8-14(12)19/h3-5,7-8,10H,6,9H2,1-2H3
InChIKeyGSSUAIAGIYZUJT-UHFFFAOYSA-N
XLogP4.91
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone (CID 67812943) is 2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone is CC(C)Oc1cc(C(=O)Cc2c(Cl)cncc2Cl)ccc1OCF.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone?
The InChIKey is GSSUAIAGIYZUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO3/c1-10(2)24-17-5-11(3-4-16(17)23-9-20)15(22)6-12-13(18)7-21-8-14(12)19/h3-5,7-8,10H,6,9H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone has a molecular weight of 372.22 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone is sourced from PubChem (CID 67812943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).