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

C19H26FN3O2 — CID 16920340

IUPAC1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CC(=O)N(Cc2ccc(F)cc2)C1)NC1CCCCC1
InChIInChI=1S/C19H26FN3O2/c20-16-8-6-14(7-9-16)12-23-13-15(10-18(23)24)11-21-19(25)22-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-13H2,(H2,21,22,25)
InChIKeyURYJAUDAFLMABJ-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.81
Rot. Bonds5

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

1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea (PubChem CID 16920340) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea
PubChem CID16920340
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CC(=O)N(Cc2ccc(F)cc2)C1)NC1CCCCC1
InChIInChI=1S/C19H26FN3O2/c20-16-8-6-14(7-9-16)12-23-13-15(10-18(23)24)11-21-19(25)22-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-13H2,(H2,21,22,25)
InChIKeyURYJAUDAFLMABJ-UHFFFAOYSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea (CID 16920340) is 1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea is O=C(NCC1CC(=O)N(Cc2ccc(F)cc2)C1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea?
The InChIKey is URYJAUDAFLMABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-8-6-14(7-9-16)12-23-13-15(10-18(23)24)11-21-19(25)22-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-13H2,(H2,21,22,25).
What are the key properties of 1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea?
1-cyclohexyl-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea has a molecular weight of 347.43 g/mol, XLogP of 2.81, 5 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)methyl]-5-oxopyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 16920340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).