N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide

C12H19F3N2O2 — CID 75496726

IUPACN-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(C(=O)N(CC)CC(F)(F)F)N1CCCC1=O
InChIInChI=1S/C12H19F3N2O2/c1-3-9(17-7-5-6-10(17)18)11(19)16(4-2)8-12(13,14)15/h9H,3-8H2,1-2H3
InChIKeyXHISMSZEPAAHHR-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.80
Rot. Bonds5

About N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide

N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 75496726) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID75496726
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(C(=O)N(CC)CC(F)(F)F)N1CCCC1=O
InChIInChI=1S/C12H19F3N2O2/c1-3-9(17-7-5-6-10(17)18)11(19)16(4-2)8-12(13,14)15/h9H,3-8H2,1-2H3
InChIKeyXHISMSZEPAAHHR-UHFFFAOYSA-N
XLogP1.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide (CID 75496726) is N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide is CCC(C(=O)N(CC)CC(F)(F)F)N1CCCC1=O.
What is the InChIKey of N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is XHISMSZEPAAHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-3-9(17-7-5-6-10(17)18)11(19)16(4-2)8-12(13,14)15/h9H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide?
N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 280.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 75496726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).