5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide

C20H19F3N2O3 — CID 166031118

IUPAC5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
SMILESCc1ccc(O)cc1C(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H19F3N2O3/c1-12-6-7-15(26)9-16(12)19(28)24-14-8-18(27)25(11-14)10-13-4-2-3-5-17(13)20(21,22)23/h2-7,9,14,26H,8,10-11H2,1H3,(H,24,28)
InChIKeyWERJFEKWYROMAG-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.25
Rot. Bonds4

About 5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide

5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide (PubChem CID 166031118) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
PubChem CID166031118
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
SMILESCc1ccc(O)cc1C(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H19F3N2O3/c1-12-6-7-15(26)9-16(12)19(28)24-14-8-18(27)25(11-14)10-13-4-2-3-5-17(13)20(21,22)23/h2-7,9,14,26H,8,10-11H2,1H3,(H,24,28)
InChIKeyWERJFEKWYROMAG-UHFFFAOYSA-N
XLogP3.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide (CID 166031118) is 5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide is Cc1ccc(O)cc1C(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide?
The InChIKey is WERJFEKWYROMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-12-6-7-15(26)9-16(12)19(28)24-14-8-18(27)25(11-14)10-13-4-2-3-5-17(13)20(21,22)23/h2-7,9,14,26H,8,10-11H2,1H3,(H,24,28).
What are the key properties of 5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide?
5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 166031118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).