1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea

C15H20FN3O3 — CID 18564420

IUPAC1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FN3O3/c1-10(9-22-2)17-15(21)18-12-7-14(20)19(8-12)13-5-3-11(16)4-6-13/h3-6,10,12H,7-9H2,1-2H3,(H2,17,18,21)
InChIKeyHTJULAGKWAFVLS-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.27
Rot. Bonds5

About 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea

1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea (PubChem CID 18564420) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea
PubChem CID18564420
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FN3O3/c1-10(9-22-2)17-15(21)18-12-7-14(20)19(8-12)13-5-3-11(16)4-6-13/h3-6,10,12H,7-9H2,1-2H3,(H2,17,18,21)
InChIKeyHTJULAGKWAFVLS-UHFFFAOYSA-N
XLogP1.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea (CID 18564420) is 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea is COCC(C)NC(=O)NC1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea?
The InChIKey is HTJULAGKWAFVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c1-10(9-22-2)17-15(21)18-12-7-14(20)19(8-12)13-5-3-11(16)4-6-13/h3-6,10,12H,7-9H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea?
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea has a molecular weight of 309.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methoxypropan-2-yl)urea is sourced from PubChem (CID 18564420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).