2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

C31H30F5N3O2 — CID 67357202

IUPAC2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESO=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C31H30F5N3O2/c32-25-8-4-22(5-9-25)30(23-6-10-26(33)11-7-23)14-17-39(29(30)41)20-28(40)37-27-12-15-38(16-13-27)19-21-2-1-3-24(18-21)31(34,35)36/h1-11,18,27H,12-17,19-20H2,(H,37,40)
InChIKeyWXWLZQGBYVNBGK-UHFFFAOYSA-N
MW571.59 g/mol
LogP5.28
Rot. Bonds7

About 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 67357202) has the molecular formula C31H30F5N3O2 and a molecular weight of 571.59 g/mol. Its IUPAC name is 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID67357202
Molecular FormulaC31H30F5N3O2
Molecular Weight571.59 g/mol
Exact Mass571.23
IUPAC Name2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESO=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C31H30F5N3O2/c32-25-8-4-22(5-9-25)30(23-6-10-26(33)11-7-23)14-17-39(29(30)41)20-28(40)37-27-12-15-38(16-13-27)19-21-2-1-3-24(18-21)31(34,35)36/h1-11,18,27H,12-17,19-20H2,(H,37,40)
InChIKeyWXWLZQGBYVNBGK-UHFFFAOYSA-N
XLogP5.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.59
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 67357202) is 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is WXWLZQGBYVNBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F5N3O2/c32-25-8-4-22(5-9-25)30(23-6-10-26(33)11-7-23)14-17-39(29(30)41)20-28(40)37-27-12-15-38(16-13-27)19-21-2-1-3-24(18-21)31(34,35)36/h1-11,18,27H,12-17,19-20H2,(H,37,40).
What are the key properties of 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 571.59 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 67357202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).