[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate

C17H19F3N2O4 — CID 55640942

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
SMILESCC(C)N1CC(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C17H19F3N2O4/c1-10(2)22-8-11(7-15(22)24)16(25)26-9-14(23)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23)
InChIKeyGZERAZWXMSYYFW-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.44
Rot. Bonds5

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 55640942) has the molecular formula C17H19F3N2O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID55640942
Molecular FormulaC17H19F3N2O4
Molecular Weight372.34 g/mol
Exact Mass372.13
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
SMILESCC(C)N1CC(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C17H19F3N2O4/c1-10(2)22-8-11(7-15(22)24)16(25)26-9-14(23)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23)
InChIKeyGZERAZWXMSYYFW-UHFFFAOYSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
CID 55640731
[2-(4-methoxyanilino)-2-oxoethyl] (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 9166196
[2-(4-methoxyanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166677
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 126135011
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648
[2-(4-methoxyanilino)-2-oxoethyl] (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1084072
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
CID 55629892
[2-(4-fluoroanilino)-2-oxoethyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7501170
[2-(4-fluoroanilino)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3879939
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] (3R)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 126148803
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3164252
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
CID 55640887

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate (CID 55640942) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate is CC(C)N1CC(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)CC1=O.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is GZERAZWXMSYYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O4/c1-10(2)22-8-11(7-15(22)24)16(25)26-9-14(23)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 372.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 55640942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).