3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

C14H13F3N2O3 — CID 17034887

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O3/c15-14(16,17)9-2-1-3-10(8-9)18-11(20)6-7-19-12(21)4-5-13(19)22/h1-3,8H,4-7H2,(H,18,20)
InChIKeyQYRZDUHZKNIWMC-UHFFFAOYSA-N
MW314.26 g/mol
LogP2.18
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 17034887) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID17034887
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O3/c15-14(16,17)9-2-1-3-10(8-9)18-11(20)6-7-19-12(21)4-5-13(19)22/h1-3,8H,4-7H2,(H,18,20)
InChIKeyQYRZDUHZKNIWMC-UHFFFAOYSA-N
XLogP2.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide 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

4-(Chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 14698919
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2844150
6-(Pyrrolidin-1-yl)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9925752
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
N-cyclopropyl-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 3148502
1-(3-Methylphenyl)pyrrolidine-2,5-dione
CID 5150707
N-(3-Trifluoromethylphenyl)succinimide
CID 203867
1-(m-Trifluorophenyl)piperazine, 4
CID 11292754
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072556
N-([1,1'-Biphenyl]-3-yl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072557
1-(m-Trifluorophenyl)piperazine, 3
CID 42618268
1-(m-Trifluorophenyl)piperazine, 11
CID 42618272

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 17034887) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCN1C(=O)CCC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QYRZDUHZKNIWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c15-14(16,17)9-2-1-3-10(8-9)18-11(20)6-7-19-12(21)4-5-13(19)22/h1-3,8H,4-7H2,(H,18,20).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 314.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 17034887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).