1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea

C18H24FN3O2 — CID 16920073

IUPAC1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)NC1CCCCC1
InChIInChI=1S/C18H24FN3O2/c19-14-6-8-16(9-7-14)22-12-13(10-17(22)23)11-20-18(24)21-15-4-2-1-3-5-15/h6-9,13,15H,1-5,10-12H2,(H2,20,21,24)
InChIKeyHLYXOEPFBNYZGI-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.81
Rot. Bonds4

About 1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea

1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea (PubChem CID 16920073) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
PubChem CID16920073
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)NC1CCCCC1
InChIInChI=1S/C18H24FN3O2/c19-14-6-8-16(9-7-14)22-12-13(10-17(22)23)11-20-18(24)21-15-4-2-1-3-5-15/h6-9,13,15H,1-5,10-12H2,(H2,20,21,24)
InChIKeyHLYXOEPFBNYZGI-UHFFFAOYSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea (CID 16920073) is 1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea is O=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The InChIKey is HLYXOEPFBNYZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-14-6-8-16(9-7-14)22-12-13(10-17(22)23)11-20-18(24)21-15-4-2-1-3-5-15/h6-9,13,15H,1-5,10-12H2,(H2,20,21,24).
What are the key properties of 1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea has a molecular weight of 333.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 16920073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).