2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide

C20H19F3N2O3 — CID 78885330

IUPAC2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
SMILESO=C(CN1CCCC1=O)Nc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)17-8-2-1-5-14(17)13-28-16-7-3-6-15(11-16)24-18(26)12-25-10-4-9-19(25)27/h1-3,5-8,11H,4,9-10,12-13H2,(H,24,26)
InChIKeyAWVDPJVGZDZMMG-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.85
Rot. Bonds6

About 2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide

2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide (PubChem CID 78885330) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
PubChem CID78885330
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
SMILESO=C(CN1CCCC1=O)Nc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)17-8-2-1-5-14(17)13-28-16-7-3-6-15(11-16)24-18(26)12-25-10-4-9-19(25)27/h1-3,5-8,11H,4,9-10,12-13H2,(H,24,26)
InChIKeyAWVDPJVGZDZMMG-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide (CID 78885330) is 2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide is O=C(CN1CCCC1=O)Nc1cccc(OCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide?
The InChIKey is AWVDPJVGZDZMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)17-8-2-1-5-14(17)13-28-16-7-3-6-15(11-16)24-18(26)12-25-10-4-9-19(25)27/h1-3,5-8,11H,4,9-10,12-13H2,(H,24,26).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide?
2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide has a molecular weight of 392.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide is sourced from PubChem (CID 78885330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).