1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea

C18H16F3N3O2 — CID 16920094

IUPAC1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)Nc1c(F)cccc1F
InChIInChI=1S/C18H16F3N3O2/c19-12-4-6-13(7-5-12)24-10-11(8-16(24)25)9-22-18(26)23-17-14(20)2-1-3-15(17)21/h1-7,11H,8-10H2,(H2,22,23,26)
InChIKeyQVGOFBXCZAUWMX-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.28
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea

1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea (PubChem CID 16920094) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
PubChem CID16920094
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)Nc1c(F)cccc1F
InChIInChI=1S/C18H16F3N3O2/c19-12-4-6-13(7-5-12)24-10-11(8-16(24)25)9-22-18(26)23-17-14(20)2-1-3-15(17)21/h1-7,11H,8-10H2,(H2,22,23,26)
InChIKeyQVGOFBXCZAUWMX-UHFFFAOYSA-N
XLogP3.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea (CID 16920094) is 1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea is O=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The InChIKey is QVGOFBXCZAUWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-12-4-6-13(7-5-12)24-10-11(8-16(24)25)9-22-18(26)23-17-14(20)2-1-3-15(17)21/h1-7,11H,8-10H2,(H2,22,23,26).
What are the key properties of 1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea has a molecular weight of 363.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 16920094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).