N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide

C13H12BrN3O2 — CID 50946792

IUPACN-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
SMILESCc1ccc(=O)n(CC(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C13H12BrN3O2/c1-9-6-7-13(19)17(16-9)8-12(18)15-11-5-3-2-4-10(11)14/h2-7H,8H2,1H3,(H,15,18)
InChIKeyGPIKYXUDBSTFMH-UHFFFAOYSA-N
MW322.16 g/mol
LogP1.95
Rot. Bonds3

About N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide

N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide (PubChem CID 50946792) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
PubChem CID50946792
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC NameN-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
SMILESCc1ccc(=O)n(CC(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C13H12BrN3O2/c1-9-6-7-13(19)17(16-9)8-12(18)15-11-5-3-2-4-10(11)14/h2-7H,8H2,1H3,(H,15,18)
InChIKeyGPIKYXUDBSTFMH-UHFFFAOYSA-N
XLogP1.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224565
N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115885261
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
CID 50812937
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121050608
N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2098968
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 7659740
N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 56528757
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
CID 23612563
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide (CID 50946792) is N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide is Cc1ccc(=O)n(CC(=O)Nc2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is GPIKYXUDBSTFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-9-6-7-13(19)17(16-9)8-12(18)15-11-5-3-2-4-10(11)14/h2-7H,8H2,1H3,(H,15,18).
What are the key properties of N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide?
N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 322.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 50946792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).