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

C20H17F3N2O3 — CID 154775116

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H17F3N2O3/c1-12(15-7-2-3-8-16(15)20(21,22)23)24-19(28)13-5-4-6-14(11-13)25-17(26)9-10-18(25)27/h2-8,11-12H,9-10H2,1H3,(H,24,28)
InChIKeyTVIYBVLMGHTAIP-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.85
Rot. Bonds4

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

3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 154775116) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID154775116
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H17F3N2O3/c1-12(15-7-2-3-8-16(15)20(21,22)23)24-19(28)13-5-4-6-14(11-13)25-17(26)9-10-18(25)27/h2-8,11-12H,9-10H2,1H3,(H,24,28)
InChIKeyTVIYBVLMGHTAIP-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.85
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

3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 55389083
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 18084160
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788437
N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651775
N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 26833741
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
1-ethyl-4,6-dimethyl-2-oxo-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 99950395
4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide
CID 99926183
N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7733040
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 51881405
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18166253

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide (CID 154775116) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide is CC(NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is TVIYBVLMGHTAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-12(15-7-2-3-8-16(15)20(21,22)23)24-19(28)13-5-4-6-14(11-13)25-17(26)9-10-18(25)27/h2-8,11-12H,9-10H2,1H3,(H,24,28).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 390.36 g/mol, XLogP of 3.85, 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-[1-[2-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 154775116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).