[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C11H11Cl2NO3 — CID 8001276

IUPAC[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCNC(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-14-10(15)6-17-11(16)5-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyQBMCLQDRRVIIOM-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.83
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 8001276) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID8001276
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCNC(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-14-10(15)6-17-11(16)5-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyQBMCLQDRRVIIOM-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 9200643
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2349915
[2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2605985
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2432962
methyl 4-[[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]methyl]benzoate
CID 8013614
ethyl 4-[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7767309
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2605978
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 34182625
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7767308
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 11915073
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718355
[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61321081

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 8001276) is [2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is CNC(=O)COC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is QBMCLQDRRVIIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c1-14-10(15)6-17-11(16)5-7-8(12)3-2-4-9(7)13/h2-4H,5-6H2,1H3,(H,14,15).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 276.12 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 8001276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).