2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C16H17F3N2O3 — CID 118729039

IUPAC2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC1CC(=O)N(C(C)C(=O)NCc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H17F3N2O3/c1-9-7-13(22)21(15(9)24)10(2)14(23)20-8-11-3-5-12(6-4-11)16(17,18)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)
InChIKeyLXVSRZHBTOTBKA-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.11
Rot. Bonds4

About 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 118729039) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID118729039
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC1CC(=O)N(C(C)C(=O)NCc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H17F3N2O3/c1-9-7-13(22)21(15(9)24)10(2)14(23)20-8-11-3-5-12(6-4-11)16(17,18)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)
InChIKeyLXVSRZHBTOTBKA-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.11
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

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
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
2-(3-Ethylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10093766
2-(3-Amino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10250073
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-2-carboxamide
CID 10114895

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 118729039) is 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is CC1CC(=O)N(C(C)C(=O)NCc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is LXVSRZHBTOTBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-9-7-13(22)21(15(9)24)10(2)14(23)20-8-11-3-5-12(6-4-11)16(17,18)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,23).
What are the key properties of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 342.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 118729039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).