1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea

C15H18F3N3O2 — CID 108876751

IUPAC1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCC(C)N1CC(NC(=O)Nc2ccccc2C(F)(F)F)CC1=O
InChIInChI=1S/C15H18F3N3O2/c1-9(2)21-8-10(7-13(21)22)19-14(23)20-12-6-4-3-5-11(12)15(16,17)18/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,23)
InChIKeyVHMUXGQNQWKIAC-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.84
Rot. Bonds3

About 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea

1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 108876751) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID108876751
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCC(C)N1CC(NC(=O)Nc2ccccc2C(F)(F)F)CC1=O
InChIInChI=1S/C15H18F3N3O2/c1-9(2)21-8-10(7-13(21)22)19-14(23)20-12-6-4-3-5-11(12)15(16,17)18/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,23)
InChIKeyVHMUXGQNQWKIAC-UHFFFAOYSA-N
XLogP2.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877028
1-(2-chloro-3-pyridinyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876870
1-(2-hydroxy-5-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876889
1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876998
1-[2-(2-fluorophenyl)ethyl]-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877061
1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 175838407
1-(2-bromo-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877024
1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314248
1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765684
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
CID 95774853
2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736726
1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876978

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea (CID 108876751) is 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea is CC(C)N1CC(NC(=O)Nc2ccccc2C(F)(F)F)CC1=O.
What is the InChIKey of 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is VHMUXGQNQWKIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-9(2)21-8-10(7-13(21)22)19-14(23)20-12-6-4-3-5-11(12)15(16,17)18/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 329.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108876751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).