(4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate

C18H15FN2O3 — CID 4005861

IUPAC(4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESO=C(OCc1ccc(F)cc1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C18H15FN2O3/c19-14-8-6-13(7-9-14)12-24-18(23)16-10-11-17(22)21(20-16)15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKeyGTGLJFYTWXDXPW-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.05
Rot. Bonds4

About (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate

(4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate (PubChem CID 4005861) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
PubChem CID4005861
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name(4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESO=C(OCc1ccc(F)cc1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C18H15FN2O3/c19-14-8-6-13(7-9-14)12-24-18(23)16-10-11-17(22)21(20-16)15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKeyGTGLJFYTWXDXPW-UHFFFAOYSA-N
XLogP3.05
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate (CID 4005861) is (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate is O=C(OCc1ccc(F)cc1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is GTGLJFYTWXDXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-14-8-6-13(7-9-14)12-24-18(23)16-10-11-17(22)21(20-16)15-4-2-1-3-5-15/h1-9H,10-12H2.
What are the key properties of (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
(4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 326.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 4005861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).