[dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate

C22H28Cl3NO2Sn — CID 16686790

IUPAC[dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCCCC[Sn](Cl)(CCCC)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2.2C4H9.ClH.Sn/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;2*1-3-4-2;;/h1-7,17H,8H2,(H,18,19);2*1,3-4H2,2H3;1H;/q;;;;+2/p-2
InChIKeyRCZVEOWYARLITI-UHFFFAOYSA-L
MW563.54 g/mol
LogP8.10
Rot. Bonds11

About [dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate

[dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 16686790) has the molecular formula C22H28Cl3NO2Sn and a molecular weight of 563.54 g/mol. Its IUPAC name is [dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Name[dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID16686790
Molecular FormulaC22H28Cl3NO2Sn
Molecular Weight563.54 g/mol
Exact Mass563.02
IUPAC Name[dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCCCC[Sn](Cl)(CCCC)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2.2C4H9.ClH.Sn/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;2*1-3-4-2;;/h1-7,17H,8H2,(H,18,19);2*1,3-4H2,2H3;1H;/q;;;;+2/p-2
InChIKeyRCZVEOWYARLITI-UHFFFAOYSA-L
XLogP8.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.54
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of [dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 16686790) is [dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for [dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for [dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate is CCCC[Sn](Cl)(CCCC)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of [dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is RCZVEOWYARLITI-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H11Cl2NO2.2C4H9.ClH.Sn/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;2*1-3-4-2;;/h1-7,17H,8H2,(H,18,19);2*1,3-4H2,2H3;1H;/q;;;;+2/p-2.
What are the key properties of [dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate?
[dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 563.54 g/mol, XLogP of 8.10, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 16686790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).