1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea

C20H19FN4O2 — CID 42109949

IUPAC1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea
SMILESO=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)NCc1ccccc1
InChIInChI=1S/C20H19FN4O2/c21-17-8-6-16(7-9-17)18-10-11-19(25-24-18)27-13-12-22-20(26)23-14-15-4-2-1-3-5-15/h1-11H,12-14H2,(H2,22,23,26)
InChIKeyBMHFBGYLXXQQMP-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.16
Rot. Bonds7

About 1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea

1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea (PubChem CID 42109949) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea
PubChem CID42109949
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea
SMILESO=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)NCc1ccccc1
InChIInChI=1S/C20H19FN4O2/c21-17-8-6-16(7-9-17)18-10-11-19(25-24-18)27-13-12-22-20(26)23-14-15-4-2-1-3-5-15/h1-11H,12-14H2,(H2,22,23,26)
InChIKeyBMHFBGYLXXQQMP-UHFFFAOYSA-N
XLogP3.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea?
The IUPAC name of 1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea (CID 42109949) is 1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea is O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea?
The InChIKey is BMHFBGYLXXQQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-17-8-6-16(7-9-17)18-10-11-19(25-24-18)27-13-12-22-20(26)23-14-15-4-2-1-3-5-15/h1-11H,12-14H2,(H2,22,23,26).
What are the key properties of 1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea?
1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea has a molecular weight of 366.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea is sourced from PubChem (CID 42109949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).