1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea

C15H20F3N3O2 — CID 72857196

IUPAC1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESCN1CCCC1CCNC(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-21-10-4-5-11(21)8-9-19-14(22)20-12-6-2-3-7-13(12)23-15(16,17)18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,19,20,22)
InChIKeyVDULGBBNMRPHID-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.19
Rot. Bonds5

About 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea

1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea (PubChem CID 72857196) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
PubChem CID72857196
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESCN1CCCC1CCNC(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-21-10-4-5-11(21)8-9-19-14(22)20-12-6-2-3-7-13(12)23-15(16,17)18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,19,20,22)
InChIKeyVDULGBBNMRPHID-UHFFFAOYSA-N
XLogP3.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 125174751
1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 47016115
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 94800617
1-(4-chloro-2-fluorophenyl)-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea
CID 72890023
4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid
CID 61185657
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 124606992
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 99919601
1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 56519173
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 111431252
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 52595761

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea (CID 72857196) is 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea is CN1CCCC1CCNC(=O)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The InChIKey is VDULGBBNMRPHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-21-10-4-5-11(21)8-9-19-14(22)20-12-6-2-3-7-13(12)23-15(16,17)18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea?
1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea has a molecular weight of 331.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 72857196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).