ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate

C19H17Cl2NO5 — CID 7767309

IUPACethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H17Cl2NO5/c1-2-26-19(25)12-6-8-13(9-7-12)22-17(23)11-27-18(24)10-14-15(20)4-3-5-16(14)21/h3-9H,2,10-11H2,1H3,(H,22,23)
InChIKeyVETPKCLWEPDGKR-UHFFFAOYSA-N
MW410.25 g/mol
LogP3.89
Rot. Bonds7

About ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate

ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7767309) has the molecular formula C19H17Cl2NO5 and a molecular weight of 410.25 g/mol. Its IUPAC name is ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate
PubChem CID7767309
Molecular FormulaC19H17Cl2NO5
Molecular Weight410.25 g/mol
Exact Mass409.05
IUPAC Nameethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H17Cl2NO5/c1-2-26-19(25)12-6-8-13(9-7-12)22-17(23)11-27-18(24)10-14-15(20)4-3-5-16(14)21/h3-9H,2,10-11H2,1H3,(H,22,23)
InChIKeyVETPKCLWEPDGKR-UHFFFAOYSA-N
XLogP3.89
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7767308
ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7799286
ethyl 4-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7759306
ethyl 4-[[2-[2-[3-(trifluoromethyl)phenyl]acetyl]oxyacetyl]amino]benzoate
CID 7767527
ethyl 4-[[3-(3-chloro-2-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108955120
[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 8001276
methyl 4-[[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]methyl]benzoate
CID 8013614
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 7749602
ethyl 4-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]benzoate
CID 8853703
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] (3S)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 41110934
ethyl 4-[[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]oxyacetyl]amino]benzoate
CID 8818151
methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7750430

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate (CID 7767309) is ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is VETPKCLWEPDGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO5/c1-2-26-19(25)12-6-8-13(9-7-12)22-17(23)11-27-18(24)10-14-15(20)4-3-5-16(14)21/h3-9H,2,10-11H2,1H3,(H,22,23).
What are the key properties of ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate?
ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 410.25 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7767309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).