[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate

C20H19ClN2O4 — CID 7903866

IUPAC[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C20H19ClN2O4/c1-13(2)16-5-3-4-6-18(16)26-12-20(25)27-11-19(24)23-17-9-15(21)8-7-14(17)10-22/h3-9,13H,11-12H2,1-2H3,(H,23,24)
InChIKeyBYICABAVKRADPQ-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.90
Rot. Bonds7

About [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 7903866) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
PubChem CID7903866
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C20H19ClN2O4/c1-13(2)16-5-3-4-6-18(16)26-12-20(25)27-11-19(24)23-17-9-15(21)8-7-14(17)10-22/h3-9,13H,11-12H2,1-2H3,(H,23,24)
InChIKeyBYICABAVKRADPQ-UHFFFAOYSA-N
XLogP3.90
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272250
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903860
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918767
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2378781
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564022
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] benzoate
CID 2517138
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-phenylpropanoate
CID 4801753
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7729248
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903826
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903856
(2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate
CID 18283031
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839335

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate (CID 7903866) is [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate is CC(C)c1ccccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is BYICABAVKRADPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-13(2)16-5-3-4-6-18(16)26-12-20(25)27-11-19(24)23-17-9-15(21)8-7-14(17)10-22/h3-9,13H,11-12H2,1-2H3,(H,23,24).
What are the key properties of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate?
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 386.84 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 7903866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).