4-benzoyl-2-benzyl-5-chloropyridazin-3-one

C18H13ClN2O2 — CID 53475592

IUPAC4-benzoyl-2-benzyl-5-chloropyridazin-3-one
SMILESO=C(c1ccccc1)c1c(Cl)cnn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H13ClN2O2/c19-15-11-20-21(12-13-7-3-1-4-8-13)18(23)16(15)17(22)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyXPZGZSLUZLXQIF-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.18
Rot. Bonds4

About 4-benzoyl-2-benzyl-5-chloropyridazin-3-one

4-benzoyl-2-benzyl-5-chloropyridazin-3-one (PubChem CID 53475592) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is 4-benzoyl-2-benzyl-5-chloropyridazin-3-one.

Molecular Properties

Compound Name4-benzoyl-2-benzyl-5-chloropyridazin-3-one
PubChem CID53475592
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name4-benzoyl-2-benzyl-5-chloropyridazin-3-one
SMILESO=C(c1ccccc1)c1c(Cl)cnn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H13ClN2O2/c19-15-11-20-21(12-13-7-3-1-4-8-13)18(23)16(15)17(22)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyXPZGZSLUZLXQIF-UHFFFAOYSA-N
XLogP3.18
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4,5-diamino-2-benzylpyridazin-3-one
CID 820673
2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
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2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one
CID 67917856
1,5-dibenzylpyrazole-4-carboxylic acid
CID 121436106
1-benzyl-5-fluoropyrazole-4-carboxylic acid
CID 115031839
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one
CID 169129055
5-amino-2-benzyl-4-bromopyridazin-3-one
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CID 84819961

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-2-benzyl-5-chloropyridazin-3-one?
The IUPAC name of 4-benzoyl-2-benzyl-5-chloropyridazin-3-one (CID 53475592) is 4-benzoyl-2-benzyl-5-chloropyridazin-3-one.
What is the SMILES notation for 4-benzoyl-2-benzyl-5-chloropyridazin-3-one?
The canonical SMILES for 4-benzoyl-2-benzyl-5-chloropyridazin-3-one is O=C(c1ccccc1)c1c(Cl)cnn(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzoyl-2-benzyl-5-chloropyridazin-3-one?
The InChIKey is XPZGZSLUZLXQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c19-15-11-20-21(12-13-7-3-1-4-8-13)18(23)16(15)17(22)14-9-5-2-6-10-14/h1-11H,12H2.
What are the key properties of 4-benzoyl-2-benzyl-5-chloropyridazin-3-one?
4-benzoyl-2-benzyl-5-chloropyridazin-3-one has a molecular weight of 324.77 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-2-benzyl-5-chloropyridazin-3-one is sourced from PubChem (CID 53475592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).