[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate

C16H11Cl4NO4 — CID 41465862

IUPAC[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cl)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl4NO4/c17-9-5-11(19)16(12(20)6-9)21-14(22)7-25-15(23)8-24-13-4-2-1-3-10(13)18/h1-6H,7-8H2,(H,21,22)
InChIKeyCSVMUCOEJNLBDP-UHFFFAOYSA-N
MW423.08 g/mol
LogP4.86
Rot. Bonds6

About [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate

[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 41465862) has the molecular formula C16H11Cl4NO4 and a molecular weight of 423.08 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
PubChem CID41465862
Molecular FormulaC16H11Cl4NO4
Molecular Weight423.08 g/mol
Exact Mass420.94
IUPAC Name[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cl)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl4NO4/c17-9-5-11(19)16(12(20)6-9)21-14(22)7-25-15(23)8-24-13-4-2-1-3-10(13)18/h1-6H,7-8H2,(H,21,22)
InChIKeyCSVMUCOEJNLBDP-UHFFFAOYSA-N
XLogP4.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.08
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847332
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2378568
2-(2-ethoxyphenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 7613010
[2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 41465436
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7856028
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42003289
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 16512644
2-(2-acetamidophenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 7867315
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 2105203
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42978732
N-(4-amino-2-chloro-6-methylphenyl)-2-(2-chlorophenoxy)acetamide
CID 100828371
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847240

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate (CID 41465862) is [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate is O=C(COC(=O)COc1ccccc1Cl)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is CSVMUCOEJNLBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl4NO4/c17-9-5-11(19)16(12(20)6-9)21-14(22)7-25-15(23)8-24-13-4-2-1-3-10(13)18/h1-6H,7-8H2,(H,21,22).
What are the key properties of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate?
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 423.08 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 41465862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).