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

C19H16BrN3O2 — CID 7659751

IUPACN-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)NCc1ccccc1
InChIInChI=1S/C19H16BrN3O2/c20-16-8-4-7-15(11-16)17-9-10-19(25)23(22-17)13-18(24)21-12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,21,24)
InChIKeySYVQLCCWXVQIDE-UHFFFAOYSA-N
MW398.26 g/mol
LogP2.99
Rot. Bonds5

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

N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7659751) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7659751
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC NameN-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)NCc1ccccc1
InChIInChI=1S/C19H16BrN3O2/c20-16-8-4-7-15(11-16)17-9-10-19(25)23(22-17)13-18(24)21-12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,21,24)
InChIKeySYVQLCCWXVQIDE-UHFFFAOYSA-N
XLogP2.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55829227
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 51054627
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 41376282
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 7659740
N-(3-oxo-1-phenylbutan-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 75479453
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55841099
6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7659757
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
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-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 41376306

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide (CID 7659751) is N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is SYVQLCCWXVQIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c20-16-8-4-7-15(11-16)17-9-10-19(25)23(22-17)13-18(24)21-12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,21,24).
What are the key properties of N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide?
N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 398.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7659751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).