[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate

C19H19Cl2NO4 — CID 2378781

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO4/c1-12(2)14-5-3-4-6-16(14)22-18(23)10-26-19(24)11-25-17-8-7-13(20)9-15(17)21/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyFRCUSQYZZMVERO-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.68
Rot. Bonds7

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 2378781) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID2378781
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO4/c1-12(2)14-5-3-4-6-16(14)22-18(23)10-26-19(24)11-25-17-8-7-13(20)9-15(17)21/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyFRCUSQYZZMVERO-UHFFFAOYSA-N
XLogP4.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872987
2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 28913391
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903866
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-formylphenoxy)acetate
CID 8609788
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2433678
2-(2-chloro-5-methylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7642804
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839335
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7729248
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2378568
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865772

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate (CID 2378781) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate is CC(C)c1ccccc1NC(=O)COC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is FRCUSQYZZMVERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-12(2)14-5-3-4-6-16(14)22-18(23)10-26-19(24)11-25-17-8-7-13(20)9-15(17)21/h3-9,12H,10-11H2,1-2H3,(H,22,23).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 396.27 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 2378781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).