2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide

C21H20BrN3O2 — CID 46923304

IUPAC2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)c1
InChIInChI=1S/C21H20BrN3O2/c1-14(2)16-4-3-5-18(12-16)23-20(26)13-25-21(27)11-10-19(24-25)15-6-8-17(22)9-7-15/h3-12,14H,13H2,1-2H3,(H,23,26)
InChIKeyUZUUDZSXBULYIP-UHFFFAOYSA-N
MW426.31 g/mol
LogP4.43
Rot. Bonds5

About 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide

2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 46923304) has the molecular formula C21H20BrN3O2 and a molecular weight of 426.31 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
PubChem CID46923304
Molecular FormulaC21H20BrN3O2
Molecular Weight426.31 g/mol
Exact Mass425.07
IUPAC Name2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)c1
InChIInChI=1S/C21H20BrN3O2/c1-14(2)16-4-3-5-18(12-16)23-20(26)13-25-21(27)11-10-19(24-25)15-6-8-17(22)9-7-15/h3-12,14H,13H2,1-2H3,(H,23,26)
InChIKeyUZUUDZSXBULYIP-UHFFFAOYSA-N
XLogP4.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
N-(4-bromo-3-methylphenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051100
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 52900099
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7663496
ethyl 4-[[2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 41376414
N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923283
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7665455
N-(4-bromo-3-methylphenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051666

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide (CID 46923304) is 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)c1.
What is the InChIKey of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is UZUUDZSXBULYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O2/c1-14(2)16-4-3-5-18(12-16)23-20(26)13-25-21(27)11-10-19(24-25)15-6-8-17(22)9-7-15/h3-12,14H,13H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 426.31 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 46923304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).