1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea

C16H20FN3O3 — CID 16819849

IUPAC1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C16H20FN3O3/c17-11-3-1-4-13(7-11)20-10-12(8-15(20)21)19-16(22)18-9-14-5-2-6-23-14/h1,3-4,7,12,14H,2,5-6,8-10H2,(H2,18,19,22)
InChIKeyWLUMZGDYYJHYKV-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.41
Rot. Bonds4

About 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea

1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 16819849) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea
PubChem CID16819849
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C16H20FN3O3/c17-11-3-1-4-13(7-11)20-10-12(8-15(20)21)19-16(22)18-9-14-5-2-6-23-14/h1,3-4,7,12,14H,2,5-6,8-10H2,(H2,18,19,22)
InChIKeyWLUMZGDYYJHYKV-UHFFFAOYSA-N
XLogP1.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea (CID 16819849) is 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea is O=C(NCC1CCCO1)NC1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is WLUMZGDYYJHYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c17-11-3-1-4-13(7-11)20-10-12(8-15(20)21)19-16(22)18-9-14-5-2-6-23-14/h1,3-4,7,12,14H,2,5-6,8-10H2,(H2,18,19,22).
What are the key properties of 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea?
1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 321.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 16819849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).