[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

C14H10F3N3O5 — CID 2642304

IUPAC[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3N3O5/c15-14(16,17)7-2-1-3-8(4-7)18-11(22)6-25-12(23)9-5-10(21)20-13(24)19-9/h1-5H,6H2,(H,18,22)(H2,19,20,21,24)
InChIKeyUTMYPTDLCPAFDK-UHFFFAOYSA-N
MW357.24 g/mol
LogP0.88
Rot. Bonds4

About [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 2642304) has the molecular formula C14H10F3N3O5 and a molecular weight of 357.24 g/mol. Its IUPAC name is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID2642304
Molecular FormulaC14H10F3N3O5
Molecular Weight357.24 g/mol
Exact Mass357.06
IUPAC Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3N3O5/c15-14(16,17)7-2-1-3-8(4-7)18-11(22)6-25-12(23)9-5-10(21)20-13(24)19-9/h1-5H,6H2,(H,18,22)(H2,19,20,21,24)
InChIKeyUTMYPTDLCPAFDK-UHFFFAOYSA-N
XLogP0.88
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2100847
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2499508
(E)-4-oxo-4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]carbonylanilino]but-2-enoic acid
CID 19059755
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate
CID 30030798
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-ethylsulfonylbenzoate
CID 8854856
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 2407813
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-ethoxy-4-methoxybenzoate
CID 7903710
2-[(E)-(1-amino-3-hydroxypropylidene)amino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 75478694
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 3921616

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 2642304) is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is UTMYPTDLCPAFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O5/c15-14(16,17)7-2-1-3-8(4-7)18-11(22)6-25-12(23)9-5-10(21)20-13(24)19-9/h1-5H,6H2,(H,18,22)(H2,19,20,21,24).
What are the key properties of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 357.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 2642304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).