[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate

C18H16F3NO5 — CID 8913496

IUPAC[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO5/c1-25-14-7-2-3-8-15(14)26-11-17(24)27-10-16(23)22-13-6-4-5-12(9-13)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyQGIJCLHWQNKDON-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.27
Rot. Bonds7

About [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 8913496) has the molecular formula C18H16F3NO5 and a molecular weight of 383.32 g/mol. Its IUPAC name is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID8913496
Molecular FormulaC18H16F3NO5
Molecular Weight383.32 g/mol
Exact Mass383.10
IUPAC Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO5/c1-25-14-7-2-3-8-15(14)26-11-17(24)27-10-16(23)22-13-6-4-5-12(9-13)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyQGIJCLHWQNKDON-UHFFFAOYSA-N
XLogP3.27
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 8526775
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854141
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-ethoxy-4-methoxybenzoate
CID 7903710
2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112781566
2-[1-(3,4-dimethoxyphenyl)ethenylamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2265456
2-[(2-methoxyphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998373
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 3555342
2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 57365585
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912726
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7770386
(2R)-2-(2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40745730
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842388

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate (CID 8913496) is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is QGIJCLHWQNKDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO5/c1-25-14-7-2-3-8-15(14)26-11-17(24)27-10-16(23)22-13-6-4-5-12(9-13)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,23).
What are the key properties of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate?
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 383.32 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 8913496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).