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

C19H18F3N3O2 — CID 6623174

IUPAC1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)14-7-4-8-15(9-14)23-18(27)24-16-10-17(26)25(12-16)11-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H2,23,24,27)
InChIKeyLFJJQCZBPPVUIC-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.63
Rot. Bonds4

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

1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 6623174) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID6623174
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)14-7-4-8-15(9-14)23-18(27)24-16-10-17(26)25(12-16)11-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H2,23,24,27)
InChIKeyLFJJQCZBPPVUIC-UHFFFAOYSA-N
XLogP3.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 6623174) is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)NC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is LFJJQCZBPPVUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-19(21,22)14-7-4-8-15(9-14)23-18(27)24-16-10-17(26)25(12-16)11-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H2,23,24,27).
What are the key properties of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 377.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 6623174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).