1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea

C15H18F3N3O3 — CID 47016115

IUPAC1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCCC(=O)N1CCCC1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)24-12-6-2-1-5-11(12)20-14(23)19-8-7-13(22)21-9-3-4-10-21/h1-2,5-6H,3-4,7-10H2,(H2,19,20,23)
InChIKeyYUTZVFATOWWTFO-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.72
Rot. Bonds5

About 1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea

1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea (PubChem CID 47016115) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
PubChem CID47016115
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCCC(=O)N1CCCC1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)24-12-6-2-1-5-11(12)20-14(23)19-8-7-13(22)21-9-3-4-10-21/h1-2,5-6H,3-4,7-10H2,(H2,19,20,23)
InChIKeyYUTZVFATOWWTFO-UHFFFAOYSA-N
XLogP2.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid
CID 61185657
1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 72857196
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
1-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 125174751
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 52810254
1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 52595761
1-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122318452
1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3859950
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 111431252
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 62832471
1-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122292701

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea (CID 47016115) is 1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea is O=C(NCCC(=O)N1CCCC1)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea?
The InChIKey is YUTZVFATOWWTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c16-15(17,18)24-12-6-2-1-5-11(12)20-14(23)19-8-7-13(22)21-9-3-4-10-21/h1-2,5-6H,3-4,7-10H2,(H2,19,20,23).
What are the key properties of 1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea?
1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea has a molecular weight of 345.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 47016115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).