2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide

C19H15BrFN3O2 — CID 16800195

IUPAC2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)cc1F
InChIInChI=1S/C19H15BrFN3O2/c1-12-5-6-15(10-16(12)21)22-18(25)11-24-19(26)8-7-17(23-24)13-3-2-4-14(20)9-13/h2-10H,11H2,1H3,(H,22,25)
InChIKeyQGPIKMZOPQAYIH-UHFFFAOYSA-N
MW416.25 g/mol
LogP3.76
Rot. Bonds4

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

2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 16800195) has the molecular formula C19H15BrFN3O2 and a molecular weight of 416.25 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID16800195
Molecular FormulaC19H15BrFN3O2
Molecular Weight416.25 g/mol
Exact Mass415.03
IUPAC Name2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)cc1F
InChIInChI=1S/C19H15BrFN3O2/c1-12-5-6-15(10-16(12)21)22-18(25)11-24-19(26)8-7-17(23-24)13-3-2-4-14(20)9-13/h2-10H,11H2,1H3,(H,22,25)
InChIKeyQGPIKMZOPQAYIH-UHFFFAOYSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 7659740
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672344
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 7658936
2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53157360
N-(4-bromo-3-methylphenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051100
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 41376282
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7671868
N-(4-bromo-3-methylphenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051666
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 41376306
N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 50925836

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 16800195) is 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)cc1F.
What is the InChIKey of 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is QGPIKMZOPQAYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O2/c1-12-5-6-15(10-16(12)21)22-18(25)11-24-19(26)8-7-17(23-24)13-3-2-4-14(20)9-13/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 416.25 g/mol, XLogP of 3.76, 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-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 16800195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).