1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide

C18H14ClN3O2 — CID 41247714

IUPAC1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClN3O2/c19-14-8-6-13(7-9-14)12-22-17(23)11-10-16(21-22)18(24)20-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,24)
InChIKeyQTSWTVLXTPLYTG-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.20
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide

1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide (PubChem CID 41247714) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
PubChem CID41247714
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClN3O2/c19-14-8-6-13(7-9-14)12-22-17(23)11-10-16(21-22)18(24)20-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,24)
InChIKeyQTSWTVLXTPLYTG-UHFFFAOYSA-N
XLogP3.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979
1-[(2-fluorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 26845028
1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 26517474
[2-(4-chloroanilino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 8891681
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146
1-benzyl-N-(3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161871
1-benzyl-N-(4-fluoro-3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161885
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide
CID 51237900
1-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247833
1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide
CID 31520736

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide (CID 41247714) is 1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
The InChIKey is QTSWTVLXTPLYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-14-8-6-13(7-9-14)12-22-17(23)11-10-16(21-22)18(24)20-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 41247714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).