2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C16H17Br2N3O2 — CID 31202356

IUPAC2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C16H17Br2N3O2/c1-9(2)11-6-4-5-10(3)15(11)20-13(22)8-21-16(23)14(18)12(17)7-19-21/h4-7,9H,8H2,1-3H3,(H,20,22)
InChIKeyMXZZYNMFOHWJPO-UHFFFAOYSA-N
MW443.14 g/mol
LogP3.84
Rot. Bonds4

About 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 31202356) has the molecular formula C16H17Br2N3O2 and a molecular weight of 443.14 g/mol. Its IUPAC name is 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID31202356
Molecular FormulaC16H17Br2N3O2
Molecular Weight443.14 g/mol
Exact Mass440.97
IUPAC Name2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C16H17Br2N3O2/c1-9(2)11-6-4-5-10(3)15(11)20-13(22)8-21-16(23)14(18)12(17)7-19-21/h4-7,9H,8H2,1-3H3,(H,20,22)
InChIKeyMXZZYNMFOHWJPO-UHFFFAOYSA-N
XLogP3.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.14
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 52666291
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 2496717
N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide
CID 43042752
2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 82202141
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 110686764
N-(2-methyl-6-propan-2-ylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410218
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 82031682
N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
CID 112789085

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 31202356) is 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)Cn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is MXZZYNMFOHWJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N3O2/c1-9(2)11-6-4-5-10(3)15(11)20-13(22)8-21-16(23)14(18)12(17)7-19-21/h4-7,9H,8H2,1-3H3,(H,20,22).
What are the key properties of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 443.14 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 31202356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).