[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate

C13H13Cl3N2O5 — CID 8785756

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
SMILESCCNC(=O)NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl3N2O5/c1-2-17-13(21)18-11(19)5-23-12(20)6-22-10-4-8(15)7(14)3-9(10)16/h3-4H,2,5-6H2,1H3,(H2,17,18,19,21)
InChIKeyFZPYGCCFIKLNNG-UHFFFAOYSA-N
MW383.62 g/mol
LogP2.41
Rot. Bonds6

About [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate (PubChem CID 8785756) has the molecular formula C13H13Cl3N2O5 and a molecular weight of 383.62 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
PubChem CID8785756
Molecular FormulaC13H13Cl3N2O5
Molecular Weight383.62 g/mol
Exact Mass381.99
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
SMILESCCNC(=O)NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl3N2O5/c1-2-17-13(21)18-11(19)5-23-12(20)6-22-10-4-8(15)7(14)3-9(10)16/h3-4H,2,5-6H2,1H3,(H2,17,18,19,21)
InChIKeyFZPYGCCFIKLNNG-UHFFFAOYSA-N
XLogP2.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785732
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 7999915
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595886
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583176
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
2-acetamidoethyl 2-(2,4,5-trichlorophenoxy)acetate
CID 8933011
amino 2-(2,4,5-trichlorophenoxy)acetate
CID 56607198
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4673954
heptyl 2-(2,4,5-trichlorophenoxy)acetate
CID 102439223
2-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate
CID 3024990
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23818620
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate
CID 8546642

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate (CID 8785756) is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate is CCNC(=O)NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The InChIKey is FZPYGCCFIKLNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N2O5/c1-2-17-13(21)18-11(19)5-23-12(20)6-22-10-4-8(15)7(14)3-9(10)16/h3-4H,2,5-6H2,1H3,(H2,17,18,19,21).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate has a molecular weight of 383.62 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate is sourced from PubChem (CID 8785756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).