[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

C16H11Cl4NO4 — CID 1349237

IUPAC[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl4NO4/c17-9-1-4-14(13(20)5-9)24-8-16(23)25-7-15(22)21-10-2-3-11(18)12(19)6-10/h1-6H,7-8H2,(H,21,22)
InChIKeyWLEHSZGLRWRGOO-UHFFFAOYSA-N
MW423.08 g/mol
LogP4.86
Rot. Bonds6

About [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 1349237) has the molecular formula C16H11Cl4NO4 and a molecular weight of 423.08 g/mol. Its IUPAC name is [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID1349237
Molecular FormulaC16H11Cl4NO4
Molecular Weight423.08 g/mol
Exact Mass420.94
IUPAC Name[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl4NO4/c17-9-1-4-14(13(20)5-9)24-8-16(23)25-7-15(22)21-10-2-3-11(18)12(19)6-10/h1-6H,7-8H2,(H,21,22)
InChIKeyWLEHSZGLRWRGOO-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-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865772
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3343843
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2433678
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417
5-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyridine-2-carboxamide
CID 167856049
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23818620
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2378781

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (CID 1349237) is [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is WLEHSZGLRWRGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl4NO4/c17-9-1-4-14(13(20)5-9)24-8-16(23)25-7-15(22)21-10-2-3-11(18)12(19)6-10/h1-6H,7-8H2,(H,21,22).
What are the key properties of [2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)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-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 1349237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).