2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

C20H18BrN3O2 — CID 7659740

IUPAC2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)c1C
InChIInChI=1S/C20H18BrN3O2/c1-13-5-3-8-17(14(13)2)22-19(25)12-24-20(26)10-9-18(23-24)15-6-4-7-16(21)11-15/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyIQYWXYVWEKDNSF-UHFFFAOYSA-N
MW412.29 g/mol
LogP3.93
Rot. Bonds4

About 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 7659740) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID7659740
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC Name2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)c1C
InChIInChI=1S/C20H18BrN3O2/c1-13-5-3-8-17(14(13)2)22-19(25)12-24-20(26)10-9-18(23-24)15-6-4-7-16(21)11-15/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyIQYWXYVWEKDNSF-UHFFFAOYSA-N
XLogP3.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27262241
N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052418
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 16800195
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 41376282
N-(4-bromo-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923359
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 41376306
N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659751
N-(2-bromophenyl)-2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224565
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7663496
N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 50925836
N-(4-bromo-2-methylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050297

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 7659740) is 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)c1C.
What is the InChIKey of 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is IQYWXYVWEKDNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c1-13-5-3-8-17(14(13)2)22-19(25)12-24-20(26)10-9-18(23-24)15-6-4-7-16(21)11-15/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 412.29 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 7659740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).