1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea

C14H19FN2O2 — CID 99821870

IUPAC1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea
SMILESO=C(NOCc1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C14H19FN2O2/c15-12-8-6-11(7-9-12)10-19-17-14(18)16-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,16,17,18)
InChIKeyXETFJLISFFDMNB-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.89
Rot. Bonds4

About 1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea

1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea (PubChem CID 99821870) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea
PubChem CID99821870
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea
SMILESO=C(NOCc1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C14H19FN2O2/c15-12-8-6-11(7-9-12)10-19-17-14(18)16-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,16,17,18)
InChIKeyXETFJLISFFDMNB-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3-[(4-fluorophenyl)methoxy]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-[(4-fluorophenyl)methoxy]urea?
The IUPAC name of 1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea (CID 99821870) is 1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea?
The canonical SMILES for 1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea is O=C(NOCc1ccc(F)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea?
The InChIKey is XETFJLISFFDMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-8-6-11(7-9-12)10-19-17-14(18)16-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea?
1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea has a molecular weight of 266.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4-fluorophenyl)methoxy]urea is sourced from PubChem (CID 99821870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).