[2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

C12H13Cl2NO3 — CID 2435044

IUPAC[2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCCNC(=O)COC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-2-15-11(16)7-18-12(17)5-8-3-4-9(13)6-10(8)14/h3-4,6H,2,5,7H2,1H3,(H,15,16)
InChIKeyCIFVKIKKFKFKIZ-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.22
Rot. Bonds5

About [2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

[2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (PubChem CID 2435044) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
PubChem CID2435044
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCCNC(=O)COC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO3/c1-2-15-11(16)7-18-12(17)5-8-3-4-9(13)6-10(8)14/h3-4,6H,2,5,7H2,1H3,(H,15,16)
InChIKeyCIFVKIKKFKFKIZ-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (CID 2435044) is [2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is CCNC(=O)COC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The InChIKey is CIFVKIKKFKFKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-2-15-11(16)7-18-12(17)5-8-3-4-9(13)6-10(8)14/h3-4,6H,2,5,7H2,1H3,(H,15,16).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
[2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate has a molecular weight of 290.15 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 2435044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).