[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate

C12H13Cl2NO3 — CID 7782622

IUPAC[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-7(2)12(17)18-6-11(16)15-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyAIQOIUMIGTXMHG-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.13
Rot. Bonds4

About [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate (PubChem CID 7782622) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
PubChem CID7782622
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-7(2)12(17)18-6-11(16)15-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyAIQOIUMIGTXMHG-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782627
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
[2-(2,4-dichloroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984198
[2-(2,4-dichloroanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781295
[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2343937
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
N-(2,4-dichlorophenyl)propanamide
CID 923083
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4854024
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
methyl 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanylpropanoate
CID 78842724

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate?
The IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate (CID 7782622) is [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate.
What is the SMILES notation for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate?
The canonical SMILES for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate is CC(C)C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate?
The InChIKey is AIQOIUMIGTXMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-7(2)12(17)18-6-11(16)15-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate?
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate has a molecular weight of 290.15 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate is sourced from PubChem (CID 7782622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).