N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide

C25H20BrN3O2 — CID 121051054

IUPACN-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H20BrN3O2/c26-21-13-11-20(12-14-21)23-15-16-24(30)29(27-23)18-25(31)28(22-9-5-2-6-10-22)17-19-7-3-1-4-8-19/h1-16H,17-18H2
InChIKeyGLTRQNNHVLFJQG-UHFFFAOYSA-N
MW474.36 g/mol
LogP4.91
Rot. Bonds6

About N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide

N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (PubChem CID 121051054) has the molecular formula C25H20BrN3O2 and a molecular weight of 474.36 g/mol. Its IUPAC name is N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
PubChem CID121051054
Molecular FormulaC25H20BrN3O2
Molecular Weight474.36 g/mol
Exact Mass473.07
IUPAC NameN-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H20BrN3O2/c26-21-13-11-20(12-14-21)23-15-16-24(30)29(27-23)18-25(31)28(22-9-5-2-6-10-22)17-19-7-3-1-4-8-19/h1-16H,17-18H2
InChIKeyGLTRQNNHVLFJQG-UHFFFAOYSA-N
XLogP4.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050299
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
benzyl 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetate
CID 7663454
N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
CID 121051656
N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885143
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050637
N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051530
N-benzyl-2-(4-bromophenyl)-N-phenylacetamide
CID 18281131
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 46923334
N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050082
N-benzyl-N-methyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052466
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N,N-dibenzylacetamide
CID 121051210

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (CID 121051054) is N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The InChIKey is GLTRQNNHVLFJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O2/c26-21-13-11-20(12-14-21)23-15-16-24(30)29(27-23)18-25(31)28(22-9-5-2-6-10-22)17-19-7-3-1-4-8-19/h1-16H,17-18H2.
What are the key properties of N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide has a molecular weight of 474.36 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 121051054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).