1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide

C18H14FN3O2 — CID 26845028

IUPAC1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccccc2F)n1
InChIInChI=1S/C18H14FN3O2/c19-15-9-5-4-6-13(15)12-22-17(23)11-10-16(21-22)18(24)20-14-7-2-1-3-8-14/h1-11H,12H2,(H,20,24)
InChIKeyQRWZIWSBWUBWHR-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.68
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide

1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide (PubChem CID 26845028) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
PubChem CID26845028
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccccc2F)n1
InChIInChI=1S/C18H14FN3O2/c19-15-9-5-4-6-13(15)12-22-17(23)11-10-16(21-22)18(24)20-14-7-2-1-3-8-14/h1-11H,12H2,(H,20,24)
InChIKeyQRWZIWSBWUBWHR-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
1-benzyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-6-oxopyridazine-3-carboxamide
CID 78804750
1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
1-benzyl-N'-(2-fluorobenzoyl)-6-oxopyridazine-3-carbohydrazide
CID 51145336
1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 26517474
6-oxo-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylpyridazine-3-carboxamide
CID 53065920
1-benzyl-N-(4-fluoro-3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161885
2-[(2-fluorophenyl)methyl]-6-phenylpyridazin-3-one
CID 6461113
6-oxo-1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-N-phenylpyridazine-3-carboxamide
CID 26845038
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066008
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide (CID 26845028) is 1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccccc2F)n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
The InChIKey is QRWZIWSBWUBWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-15-9-5-4-6-13(15)12-22-17(23)11-10-16(21-22)18(24)20-14-7-2-1-3-8-14/h1-11H,12H2,(H,20,24).
What are the key properties of 1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 26845028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).