[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C17H13Cl4NO3 — CID 2349915

IUPAC[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCc1ccc(Cl)c(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C17H13Cl4NO3/c1-9-5-6-13(20)17(16(9)21)22-14(23)8-25-15(24)7-10-11(18)3-2-4-12(10)19/h2-6H,7-8H2,1H3,(H,22,23)
InChIKeyWVECXYFEDRCWEO-UHFFFAOYSA-N
MW421.11 g/mol
LogP5.33
Rot. Bonds5

About [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 2349915) has the molecular formula C17H13Cl4NO3 and a molecular weight of 421.11 g/mol. Its IUPAC name is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID2349915
Molecular FormulaC17H13Cl4NO3
Molecular Weight421.11 g/mol
Exact Mass418.96
IUPAC Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCc1ccc(Cl)c(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C17H13Cl4NO3/c1-9-5-6-13(20)17(16(9)21)22-14(23)8-25-15(24)7-10-11(18)3-2-4-12(10)19/h2-6H,7-8H2,1H3,(H,22,23)
InChIKeyWVECXYFEDRCWEO-UHFFFAOYSA-N
XLogP5.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.11
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766617
[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 8001276
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791670
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718355
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7767309
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7767308
[2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2605985
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503695
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2619150
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806685

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 2349915) is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is Cc1ccc(Cl)c(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)c1Cl.
What is the InChIKey of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is WVECXYFEDRCWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl4NO3/c1-9-5-6-13(20)17(16(9)21)22-14(23)8-25-15(24)7-10-11(18)3-2-4-12(10)19/h2-6H,7-8H2,1H3,(H,22,23).
What are the key properties of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 421.11 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 2349915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).