[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

C20H22ClNO3 — CID 1191215

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO3/c1-3-15-6-5-7-16(4-2)20(15)22-18(23)13-25-19(24)12-14-8-10-17(21)11-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,22,23)
InChIKeyZBOJDMRQYIWJPW-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.19
Rot. Bonds7

About [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 1191215) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID1191215
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO3/c1-3-15-6-5-7-16(4-2)20(15)22-18(23)13-25-19(24)12-14-8-10-17(21)11-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,22,23)
InChIKeyZBOJDMRQYIWJPW-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579246
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556336
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718355
[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579062
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847332
[2-(2,6-diethylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2353652
methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7750430
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535723
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 1191215) is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is CCc1cccc(CC)c1NC(=O)COC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is ZBOJDMRQYIWJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-3-15-6-5-7-16(4-2)20(15)22-18(23)13-25-19(24)12-14-8-10-17(21)11-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,22,23).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 359.85 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 1191215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).