[3-(2,6-dichloroanilino)-3-oxopropyl] acetate

C11H11Cl2NO3 — CID 151379956

IUPAC[3-(2,6-dichloroanilino)-3-oxopropyl] acetate
SMILESCC(=O)OCCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-7(15)17-6-5-10(16)14-11-8(12)3-2-4-9(11)13/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyOSEYPIHALADGFB-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.89
Rot. Bonds4

About [3-(2,6-dichloroanilino)-3-oxopropyl] acetate

[3-(2,6-dichloroanilino)-3-oxopropyl] acetate (PubChem CID 151379956) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is [3-(2,6-dichloroanilino)-3-oxopropyl] acetate.

Molecular Properties

Compound Name[3-(2,6-dichloroanilino)-3-oxopropyl] acetate
PubChem CID151379956
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name[3-(2,6-dichloroanilino)-3-oxopropyl] acetate
SMILESCC(=O)OCCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-7(15)17-6-5-10(16)14-11-8(12)3-2-4-9(11)13/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyOSEYPIHALADGFB-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
(2R)-2-[3-(2,6-dichloroanilino)-3-oxopropoxy]propanoic acid
CID 104875680
N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide
CID 62590078
N-(2,6-dichlorophenyl)decanamide
CID 3269237
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28713241
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
CID 60706675
3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113115297
N-(2,6-dichlorophenyl)-2-sulfanylacetamide
CID 14567957
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dichloroanilino)-3-oxopropyl] acetate?
The IUPAC name of [3-(2,6-dichloroanilino)-3-oxopropyl] acetate (CID 151379956) is [3-(2,6-dichloroanilino)-3-oxopropyl] acetate.
What is the SMILES notation for [3-(2,6-dichloroanilino)-3-oxopropyl] acetate?
The canonical SMILES for [3-(2,6-dichloroanilino)-3-oxopropyl] acetate is CC(=O)OCCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [3-(2,6-dichloroanilino)-3-oxopropyl] acetate?
The InChIKey is OSEYPIHALADGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c1-7(15)17-6-5-10(16)14-11-8(12)3-2-4-9(11)13/h2-4H,5-6H2,1H3,(H,14,16).
What are the key properties of [3-(2,6-dichloroanilino)-3-oxopropyl] acetate?
[3-(2,6-dichloroanilino)-3-oxopropyl] acetate has a molecular weight of 276.12 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dichloroanilino)-3-oxopropyl] acetate is sourced from PubChem (CID 151379956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).