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

C16H13F3N2O4 — CID 4854581

IUPAC(2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESO=C(COC(=O)Cn1cc(C(F)(F)F)ccc1=O)Nc1ccccc1
InChIInChI=1S/C16H13F3N2O4/c17-16(18,19)11-6-7-14(23)21(8-11)9-15(24)25-10-13(22)20-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,20,22)
InChIKeyOESJTZJSOWVQOY-UHFFFAOYSA-N
MW354.28 g/mol
LogP2.05
Rot. Bonds5

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

(2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 4854581) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID4854581
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name(2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESO=C(COC(=O)Cn1cc(C(F)(F)F)ccc1=O)Nc1ccccc1
InChIInChI=1S/C16H13F3N2O4/c17-16(18,19)11-6-7-14(23)21(8-11)9-15(24)25-10-13(22)20-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,20,22)
InChIKeyOESJTZJSOWVQOY-UHFFFAOYSA-N
XLogP2.05
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-Fluoroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 4851584
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24686035
ethyl 2-[3-(anilinocarbonyl)-5-chloro-2-oxo-1(2H)-pyridinyl]acetate
CID 1486139
(2-anilino-2-oxoethyl) 1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidine-4-carboxylate
CID 2646109
[2-(3,4-Difluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24980306
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24982000
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-phenylacetamide
CID 1534532
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 16274863
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17402424
[2-(Benzylamino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 9111929
[2-(2-Methyl-3-nitroanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 16283250
[2-[4-(Dimethylcarbamoyl)anilino]-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 16285793

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (CID 4854581) is (2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is O=C(COC(=O)Cn1cc(C(F)(F)F)ccc1=O)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is OESJTZJSOWVQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c17-16(18,19)11-6-7-14(23)21(8-11)9-15(24)25-10-13(22)20-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,20,22).
What are the key properties of (2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
(2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 354.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 4854581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).