[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

C18H17F3N2O5 — CID 18268883

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C18H17F3N2O5/c1-2-27-14-6-4-3-5-13(14)22-15(24)11-28-17(26)10-23-9-12(18(19,20)21)7-8-16(23)25/h3-9H,2,10-11H2,1H3,(H,22,24)
InChIKeyWRINTOXBOQWOSZ-UHFFFAOYSA-N
MW398.34 g/mol
LogP2.45
Rot. Bonds7

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 18268883) has the molecular formula C18H17F3N2O5 and a molecular weight of 398.34 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID18268883
Molecular FormulaC18H17F3N2O5
Molecular Weight398.34 g/mol
Exact Mass398.11
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C18H17F3N2O5/c1-2-27-14-6-4-3-5-13(14)22-15(24)11-28-17(26)10-23-9-12(18(19,20)21)7-8-16(23)25/h3-9H,2,10-11H2,1H3,(H,22,24)
InChIKeyWRINTOXBOQWOSZ-UHFFFAOYSA-N
XLogP2.45
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 42984349
[2-(4-methylanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 18271367
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632745
[2-(3-bromoanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 18280639
ethyl 4-acetyl-5-methyl-2-[[2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]oxyacetyl]amino]furan-3-carboxylate
CID 43030387
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-ylphenyl)acetamide
CID 2623827
methyl 2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]benzoate
CID 2623859
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 27601619
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 55315611
[2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 31867338
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98641122

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (CID 18268883) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is CCOc1ccccc1NC(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is WRINTOXBOQWOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O5/c1-2-27-14-6-4-3-5-13(14)22-15(24)11-28-17(26)10-23-9-12(18(19,20)21)7-8-16(23)25/h3-9H,2,10-11H2,1H3,(H,22,24).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 398.34 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 18268883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).