1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea

C19H17FN4O2 — CID 42109849

IUPAC1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2/c20-15-6-8-16(9-7-15)22-19(26)21-12-13-24-18(25)11-10-17(23-24)14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,21,22,26)
InChIKeyJXCKOBSYSYDTCK-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.87
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea

1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea (PubChem CID 42109849) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea
PubChem CID42109849
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2/c20-15-6-8-16(9-7-15)22-19(26)21-12-13-24-18(25)11-10-17(23-24)14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,21,22,26)
InChIKeyJXCKOBSYSYDTCK-UHFFFAOYSA-N
XLogP2.87
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea (CID 42109849) is 1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea is O=C(NCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea?
The InChIKey is JXCKOBSYSYDTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-6-8-16(9-7-15)22-19(26)21-12-13-24-18(25)11-10-17(23-24)14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,21,22,26).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea?
1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea has a molecular weight of 352.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]urea is sourced from PubChem (CID 42109849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).