[4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate

C16H13Cl2FN2O5 — CID 67418556

IUPAC[4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1nc(-c2cc(OC)c(Cl)cc2F)cc(NC(C)=O)c1Cl
InChIInChI=1S/C16H13Cl2FN2O5/c1-7(22)20-12-6-11(21-15(14(12)18)26-16(23)25-3)8-4-13(24-2)9(17)5-10(8)19/h4-6H,1-3H3,(H,20,21,22)
InChIKeyZMIOITVHUIGILF-UHFFFAOYSA-N
MW403.19 g/mol
LogP4.31
Rot. Bonds4

About [4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate

[4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate (PubChem CID 67418556) has the molecular formula C16H13Cl2FN2O5 and a molecular weight of 403.19 g/mol. Its IUPAC name is [4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate.

Molecular Properties

Compound Name[4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate
PubChem CID67418556
Molecular FormulaC16H13Cl2FN2O5
Molecular Weight403.19 g/mol
Exact Mass402.02
IUPAC Name[4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1nc(-c2cc(OC)c(Cl)cc2F)cc(NC(C)=O)c1Cl
InChIInChI=1S/C16H13Cl2FN2O5/c1-7(22)20-12-6-11(21-15(14(12)18)26-16(23)25-3)8-4-13(24-2)9(17)5-10(8)19/h4-6H,1-3H3,(H,20,21,22)
InChIKeyZMIOITVHUIGILF-UHFFFAOYSA-N
XLogP4.31
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.19
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate?
The IUPAC name of [4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate (CID 67418556) is [4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate.
What is the SMILES notation for [4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate?
The canonical SMILES for [4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate is COC(=O)Oc1nc(-c2cc(OC)c(Cl)cc2F)cc(NC(C)=O)c1Cl.
What is the InChIKey of [4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate?
The InChIKey is ZMIOITVHUIGILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O5/c1-7(22)20-12-6-11(21-15(14(12)18)26-16(23)25-3)8-4-13(24-2)9(17)5-10(8)19/h4-6H,1-3H3,(H,20,21,22).
What are the key properties of [4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate?
[4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate has a molecular weight of 403.19 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate is sourced from PubChem (CID 67418556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).