2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C16H17F3N2O3 — CID 118729028

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)CCC1=O
InChIInChI=1S/C16H17F3N2O3/c1-2-12(21-13(22)7-8-14(21)23)15(24)20-9-10-3-5-11(6-4-10)16(17,18)19/h3-6,12H,2,7-9H2,1H3,(H,20,24)
InChIKeyKRQAJVOXQDVGKA-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.25
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 118729028) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID118729028
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)CCC1=O
InChIInChI=1S/C16H17F3N2O3/c1-2-12(21-13(22)7-8-14(21)23)15(24)20-9-10-3-5-11(6-4-10)16(17,18)19/h3-6,12H,2,7-9H2,1H3,(H,20,24)
InChIKeyKRQAJVOXQDVGKA-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 3519775
Smac peptido-mimetic 1
CID 11200722
Ksp-IA
CID 24901494
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
CID 4264496
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
1-Pyrrolidineacetamide, N-(phenylmethyl)-
CID 2214094
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-2-carboxamide
CID 10114895
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(3,5-difluorobenzyl)propionamide
CID 11717268
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 23646337
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-phenylethyl]amino}pentanamide
CID 23648299

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 118729028) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is CCC(C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is KRQAJVOXQDVGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-2-12(21-13(22)7-8-14(21)23)15(24)20-9-10-3-5-11(6-4-10)16(17,18)19/h3-6,12H,2,7-9H2,1H3,(H,20,24).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 342.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 118729028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).