[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate

C18H13F3N2O4 — CID 2124208

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O4/c19-18(20,21)13-5-7-14(8-6-13)23-16(24)10-27-17(25)11-26-15-4-2-1-3-12(15)9-22/h1-8H,10-11H2,(H,23,24)
InChIKeyNVOCRPWFHABBEX-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.14
Rot. Bonds6

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 2124208) has the molecular formula C18H13F3N2O4 and a molecular weight of 378.31 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate
PubChem CID2124208
Molecular FormulaC18H13F3N2O4
Molecular Weight378.31 g/mol
Exact Mass378.08
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O4/c19-18(20,21)13-5-7-14(8-6-13)23-16(24)10-27-17(25)11-26-15-4-2-1-3-12(15)9-22/h1-8H,10-11H2,(H,23,24)
InChIKeyNVOCRPWFHABBEX-UHFFFAOYSA-N
XLogP3.14
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842388
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318132
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18231496
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317702
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
CID 7903100
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 3453907
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate
CID 8915553
2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81343426
(4-benzamidophenyl) 2-(2-cyanophenoxy)acetate
CID 8917446
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913496

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate (CID 2124208) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is NVOCRPWFHABBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4/c19-18(20,21)13-5-7-14(8-6-13)23-16(24)10-27-17(25)11-26-15-4-2-1-3-12(15)9-22/h1-8H,10-11H2,(H,23,24).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 378.31 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 2124208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).