2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

C25H22F3N3O2 — CID 45275596

IUPAC2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESO=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C25H22F3N3O2/c26-25(27,28)21-12-11-18(15-29-21)16-30-22(32)17-31-14-13-24(23(31)33,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15H,13-14,16-17H2,(H,30,32)
InChIKeyIJZKVVVVFSLFQR-UHFFFAOYSA-N
MW453.46 g/mol
LogP3.94
Rot. Bonds6

About 2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 45275596) has the molecular formula C25H22F3N3O2 and a molecular weight of 453.46 g/mol. Its IUPAC name is 2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
PubChem CID45275596
Molecular FormulaC25H22F3N3O2
Molecular Weight453.46 g/mol
Exact Mass453.17
IUPAC Name2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESO=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C25H22F3N3O2/c26-25(27,28)21-12-11-18(15-29-21)16-30-22(32)17-31-14-13-24(23(31)33,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15H,13-14,16-17H2,(H,30,32)
InChIKeyIJZKVVVVFSLFQR-UHFFFAOYSA-N
XLogP3.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 45275596) is 2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is IJZKVVVVFSLFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O2/c26-25(27,28)21-12-11-18(15-29-21)16-30-22(32)17-31-14-13-24(23(31)33,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15H,13-14,16-17H2,(H,30,32).
What are the key properties of 2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 453.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,3-diphenylpyrrolidin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 45275596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).