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

C10H9Cl2NO3 — CID 716415

IUPAC[2-(2,4-dichloroanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-6(14)16-5-10(15)13-9-3-2-7(11)4-8(9)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyLSROKQUCRGDWRS-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.49
Rot. Bonds3

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

[2-(2,4-dichloroanilino)-2-oxoethyl] acetate (PubChem CID 716415) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-2-oxoethyl] acetate
PubChem CID716415
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name[2-(2,4-dichloroanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-6(14)16-5-10(15)13-9-3-2-7(11)4-8(9)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyLSROKQUCRGDWRS-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] acetate (CID 716415) is [2-(2,4-dichloroanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2,4-dichloroanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2,4-dichloroanilino)-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichloroanilino)-2-oxoethyl] acetate?
The InChIKey is LSROKQUCRGDWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-6(14)16-5-10(15)13-9-3-2-7(11)4-8(9)12/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of [2-(2,4-dichloroanilino)-2-oxoethyl] acetate?
[2-(2,4-dichloroanilino)-2-oxoethyl] acetate has a molecular weight of 262.09 g/mol, XLogP of 2.49, 3 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] acetate is sourced from PubChem (CID 716415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).