[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate

C16H12Cl3NO4 — CID 16512644

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(Cl)c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl3NO4/c17-10-3-1-4-11(7-10)23-9-15(22)24-8-14(21)20-16-12(18)5-2-6-13(16)19/h1-7H,8-9H2,(H,20,21)
InChIKeyHWEPJLCQLXJRDA-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.21
Rot. Bonds6

About [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate (PubChem CID 16512644) has the molecular formula C16H12Cl3NO4 and a molecular weight of 388.63 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
PubChem CID16512644
Molecular FormulaC16H12Cl3NO4
Molecular Weight388.63 g/mol
Exact Mass386.98
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(Cl)c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl3NO4/c17-10-3-1-4-11(7-10)23-9-15(22)24-8-14(21)20-16-12(18)5-2-6-13(16)19/h1-7H,8-9H2,(H,20,21)
InChIKeyHWEPJLCQLXJRDA-UHFFFAOYSA-N
XLogP4.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 40564745
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803669
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803951
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803923
[2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803897
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 8982728
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803716
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 8982597
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803995
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803778
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 41465862

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate (CID 16512644) is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate is O=C(COC(=O)COc1cccc(Cl)c1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The InChIKey is HWEPJLCQLXJRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO4/c17-10-3-1-4-11(7-10)23-9-15(22)24-8-14(21)20-16-12(18)5-2-6-13(16)19/h1-7H,8-9H2,(H,20,21).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate has a molecular weight of 388.63 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate is sourced from PubChem (CID 16512644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).