N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide

C21H20BrN3O3 — CID 46381563

IUPACN-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
SMILESCc1ccc(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c(Br)c1
InChIInChI=1S/C21H20BrN3O3/c1-13-4-7-18(17(22)10-13)23-19(26)12-28-20-8-9-21(27)25(24-20)16-6-5-14(2)15(3)11-16/h4-11H,12H2,1-3H3,(H,23,26)
InChIKeyWWBMRTYIRXVGGI-UHFFFAOYSA-N
MW442.31 g/mol
LogP3.94
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide

N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide (PubChem CID 46381563) has the molecular formula C21H20BrN3O3 and a molecular weight of 442.31 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
PubChem CID46381563
Molecular FormulaC21H20BrN3O3
Molecular Weight442.31 g/mol
Exact Mass441.07
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
SMILESCc1ccc(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c(Br)c1
InChIInChI=1S/C21H20BrN3O3/c1-13-4-7-18(17(22)10-13)23-19(26)12-28-20-8-9-21(27)25(24-20)16-6-5-14(2)15(3)11-16/h4-11H,12H2,1-3H3,(H,23,26)
InChIKeyWWBMRTYIRXVGGI-UHFFFAOYSA-N
XLogP3.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(4-fluorophenyl)acetamide
CID 46381550
N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
CID 46381542
N-(2-chloro-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381627
N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713871
(3S)-1-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 40802513
N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110862951
N-(2-bromo-4-methylphenyl)-2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126105214
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535996
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide
CID 39009374
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 1188241

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide (CID 46381563) is N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide is Cc1ccc(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide?
The InChIKey is WWBMRTYIRXVGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3/c1-13-4-7-18(17(22)10-13)23-19(26)12-28-20-8-9-21(27)25(24-20)16-6-5-14(2)15(3)11-16/h4-11H,12H2,1-3H3,(H,23,26).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide?
N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide has a molecular weight of 442.31 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide is sourced from PubChem (CID 46381563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).