N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide

C16H17Br2N3O2 — CID 31202683

IUPACN-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C16H17Br2N3O2/c1-11(2)20(9-12-6-4-3-5-7-12)14(22)10-21-16(23)15(18)13(17)8-19-21/h3-8,11H,9-10H2,1-2H3
InChIKeyOOGZQNMDHPMACE-UHFFFAOYSA-N
MW443.14 g/mol
LogP3.21
Rot. Bonds5

About N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide

N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide (PubChem CID 31202683) has the molecular formula C16H17Br2N3O2 and a molecular weight of 443.14 g/mol. Its IUPAC name is N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide
PubChem CID31202683
Molecular FormulaC16H17Br2N3O2
Molecular Weight443.14 g/mol
Exact Mass440.97
IUPAC NameN-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C16H17Br2N3O2/c1-11(2)20(9-12-6-4-3-5-7-12)14(22)10-21-16(23)15(18)13(17)8-19-21/h3-8,11H,9-10H2,1-2H3
InChIKeyOOGZQNMDHPMACE-UHFFFAOYSA-N
XLogP3.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.14
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide
CID 20873125
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CID 27559502
N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide
CID 8891296
N-benzyl-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2513176
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
2-(benzimidazol-1-yl)-N-benzyl-N-propan-2-ylacetamide
CID 16994989
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide
CID 43042752
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide
CID 106852447
N-benzyl-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-propan-2-ylacetamide
CID 3549175
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide (CID 31202683) is N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)Cn1ncc(Br)c(Br)c1=O.
What is the InChIKey of N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is OOGZQNMDHPMACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N3O2/c1-11(2)20(9-12-6-4-3-5-7-12)14(22)10-21-16(23)15(18)13(17)8-19-21/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 443.14 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 31202683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).