1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea

C19H28FN3O2 — CID 18589037

IUPAC1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)NC1CCCCC1
InChIInChI=1S/C19H28FN3O2/c20-16-8-6-15(7-9-16)18(23-10-12-25-13-11-23)14-21-19(24)22-17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-14H2,(H2,21,22,24)
InChIKeyBTWJPHDQNJDUAQ-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.83
Rot. Bonds5

About 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea

1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea (PubChem CID 18589037) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
PubChem CID18589037
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)NC1CCCCC1
InChIInChI=1S/C19H28FN3O2/c20-16-8-6-15(7-9-16)18(23-10-12-25-13-11-23)14-21-19(24)22-17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-14H2,(H2,21,22,24)
InChIKeyBTWJPHDQNJDUAQ-UHFFFAOYSA-N
XLogP2.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]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-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea (CID 18589037) is 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea is O=C(NCC(c1ccc(F)cc1)N1CCOCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea?
The InChIKey is BTWJPHDQNJDUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c20-16-8-6-15(7-9-16)18(23-10-12-25-13-11-23)14-21-19(24)22-17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-14H2,(H2,21,22,24).
What are the key properties of 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea?
1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea has a molecular weight of 349.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 18589037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).