1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea

C15H18F3N3O2 — CID 45168836

IUPAC1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea
SMILESCCNC(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H18F3N3O2/c1-2-19-14(23)20-11-7-13(22)21(9-11)8-10-5-3-4-6-12(10)15(16,17)18/h3-6,11H,2,7-9H2,1H3,(H2,19,20,23)
InChIKeyIERHQWDDTTYNSD-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.13
Rot. Bonds4

About 1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea

1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea (PubChem CID 45168836) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea
PubChem CID45168836
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea
SMILESCCNC(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H18F3N3O2/c1-2-19-14(23)20-11-7-13(22)21(9-11)8-10-5-3-4-6-12(10)15(16,17)18/h3-6,11H,2,7-9H2,1H3,(H2,19,20,23)
InChIKeyIERHQWDDTTYNSD-UHFFFAOYSA-N
XLogP2.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea?
The IUPAC name of 1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea (CID 45168836) is 1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea is CCNC(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea?
The InChIKey is IERHQWDDTTYNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-2-19-14(23)20-11-7-13(22)21(9-11)8-10-5-3-4-6-12(10)15(16,17)18/h3-6,11H,2,7-9H2,1H3,(H2,19,20,23).
What are the key properties of 1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea?
1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea has a molecular weight of 329.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 45168836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).