2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide

C19H14FN3O3 — CID 86668214

IUPAC2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide
SMILESO=Cc1ccc(OCc2ccc(F)cc2)c(C(=O)Nc2ccnnc2)c1
InChIInChI=1S/C19H14FN3O3/c20-15-4-1-13(2-5-15)12-26-18-6-3-14(11-24)9-17(18)19(25)23-16-7-8-21-22-10-16/h1-11H,12H2,(H,21,23,25)
InChIKeyPQAIHLVOOXAKNQ-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.26
Rot. Bonds6

About 2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide

2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide (PubChem CID 86668214) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide
PubChem CID86668214
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide
SMILESO=Cc1ccc(OCc2ccc(F)cc2)c(C(=O)Nc2ccnnc2)c1
InChIInChI=1S/C19H14FN3O3/c20-15-4-1-13(2-5-15)12-26-18-6-3-14(11-24)9-17(18)19(25)23-16-7-8-21-22-10-16/h1-11H,12H2,(H,21,23,25)
InChIKeyPQAIHLVOOXAKNQ-UHFFFAOYSA-N
XLogP3.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide (CID 86668214) is 2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide is O=Cc1ccc(OCc2ccc(F)cc2)c(C(=O)Nc2ccnnc2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide?
The InChIKey is PQAIHLVOOXAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-15-4-1-13(2-5-15)12-26-18-6-3-14(11-24)9-17(18)19(25)23-16-7-8-21-22-10-16/h1-11H,12H2,(H,21,23,25).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide?
2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide has a molecular weight of 351.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-5-formyl-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 86668214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).