2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide

C18H14FN3O2 — CID 151011026

IUPAC2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O2/c19-14-7-5-13(6-8-14)12-24-17-4-2-1-3-16(17)18(23)22-15-9-10-20-21-11-15/h1-11H,12H2,(H,20,22,23)
InChIKeyLWCDRBXQFXDYIU-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.45
Rot. Bonds5

About 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide

2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide (PubChem CID 151011026) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide
PubChem CID151011026
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O2/c19-14-7-5-13(6-8-14)12-24-17-4-2-1-3-16(17)18(23)22-15-9-10-20-21-11-15/h1-11H,12H2,(H,20,22,23)
InChIKeyLWCDRBXQFXDYIU-UHFFFAOYSA-N
XLogP3.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide (CID 151011026) is 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide is O=C(Nc1ccnnc1)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide?
The InChIKey is LWCDRBXQFXDYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-14-7-5-13(6-8-14)12-24-17-4-2-1-3-16(17)18(23)22-15-9-10-20-21-11-15/h1-11H,12H2,(H,20,22,23).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide?
2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide has a molecular weight of 323.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 151011026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).