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

C19H16ClFN4O2 — CID 42109947

IUPAC1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea
SMILESO=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClFN4O2/c20-14-3-7-16(8-4-14)23-19(26)22-11-12-27-18-10-9-17(24-25-18)13-1-5-15(21)6-2-13/h1-10H,11-12H2,(H2,22,23,26)
InChIKeySGGQGUVGDQUENO-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.14
Rot. Bonds6

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

1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea (PubChem CID 42109947) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea
PubChem CID42109947
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea
SMILESO=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClFN4O2/c20-14-3-7-16(8-4-14)23-19(26)22-11-12-27-18-10-9-17(24-25-18)13-1-5-15(21)6-2-13/h1-10H,11-12H2,(H2,22,23,26)
InChIKeySGGQGUVGDQUENO-UHFFFAOYSA-N
XLogP4.14
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.14
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-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea (CID 42109947) is 1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea is O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea?
The InChIKey is SGGQGUVGDQUENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c20-14-3-7-16(8-4-14)23-19(26)22-11-12-27-18-10-9-17(24-25-18)13-1-5-15(21)6-2-13/h1-10H,11-12H2,(H2,22,23,26).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea?
1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea has a molecular weight of 386.81 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]urea is sourced from PubChem (CID 42109947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).