[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate

C19H18F3NO5 — CID 7844920

IUPAC[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO5/c1-2-13-3-7-15(8-4-13)26-12-18(25)27-11-17(24)23-14-5-9-16(10-6-14)28-19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24)
InChIKeyMUEYPHXXNUFXGG-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.71
Rot. Bonds8

About [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate (PubChem CID 7844920) has the molecular formula C19H18F3NO5 and a molecular weight of 397.35 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
PubChem CID7844920
Molecular FormulaC19H18F3NO5
Molecular Weight397.35 g/mol
Exact Mass397.11
IUPAC Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO5/c1-2-13-3-7-15(8-4-13)26-12-18(25)27-11-17(24)23-14-5-9-16(10-6-14)28-19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24)
InChIKeyMUEYPHXXNUFXGG-UHFFFAOYSA-N
XLogP3.71
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate
CID 7364756
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-cyanophenoxy)acetate
CID 7843207
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326799
2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220516
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7643070
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7845035
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903840

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate (CID 7844920) is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate?
The InChIKey is MUEYPHXXNUFXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO5/c1-2-13-3-7-15(8-4-13)26-12-18(25)27-11-17(24)23-14-5-9-16(10-6-14)28-19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24).
What are the key properties of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate?
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate has a molecular weight of 397.35 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 7844920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).