4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide

C18H14ClN3O2 — CID 148783053

IUPAC4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H14ClN3O2/c19-15-7-1-12(2-8-15)11-22-17(23)10-9-16(21-22)13-3-5-14(6-4-13)18(20)24/h1-10H,11H2,(H2,20,24)
InChIKeyOKRKSCLJAVIJCL-UHFFFAOYSA-N
MW339.78 g/mol
LogP2.71
Rot. Bonds4

About 4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide

4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide (PubChem CID 148783053) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide
PubChem CID148783053
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H14ClN3O2/c19-15-7-1-12(2-8-15)11-22-17(23)10-9-16(21-22)13-3-5-14(6-4-13)18(20)24/h1-10H,11H2,(H2,20,24)
InChIKeyOKRKSCLJAVIJCL-UHFFFAOYSA-N
XLogP2.71
TPSA77.98 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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one
CID 59849727
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one
CID 8698921
2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one
CID 82167988
4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide
CID 145260272
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841
N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
6-(4-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077269
2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one
CID 16831265

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide?
The IUPAC name of 4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide (CID 148783053) is 4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide?
The canonical SMILES for 4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide is NC(=O)c1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide?
The InChIKey is OKRKSCLJAVIJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-15-7-1-12(2-8-15)11-22-17(23)10-9-16(21-22)13-3-5-14(6-4-13)18(20)24/h1-10H,11H2,(H2,20,24).
What are the key properties of 4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide?
4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide has a molecular weight of 339.78 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide is sourced from PubChem (CID 148783053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).