1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea

C12H12F3N3O2 — CID 56765684

IUPAC1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C1CC(NC(=O)Nc2ccccc2C(F)(F)F)CN1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)8-3-1-2-4-9(8)18-11(20)17-7-5-10(19)16-6-7/h1-4,7H,5-6H2,(H,16,19)(H2,17,18,20)
InChIKeyAAPZREOMDAVFCZ-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.72
Rot. Bonds2

About 1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea

1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 56765684) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID56765684
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C1CC(NC(=O)Nc2ccccc2C(F)(F)F)CN1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)8-3-1-2-4-9(8)18-11(20)17-7-5-10(19)16-6-7/h1-4,7H,5-6H2,(H,16,19)(H2,17,18,20)
InChIKeyAAPZREOMDAVFCZ-UHFFFAOYSA-N
XLogP1.72
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314248
1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108876751
4-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106191950
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63661272
1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 95985030
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 75617082
1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 71789120
1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 51102219
1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 66188265
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 175838407

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea (CID 56765684) is 1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea is O=C1CC(NC(=O)Nc2ccccc2C(F)(F)F)CN1.
What is the InChIKey of 1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is AAPZREOMDAVFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-12(14,15)8-3-1-2-4-9(8)18-11(20)17-7-5-10(19)16-6-7/h1-4,7H,5-6H2,(H,16,19)(H2,17,18,20).
What are the key properties of 1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 287.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 56765684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).