N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

C12H8BrCl2N3O2 — CID 2098968

IUPACN-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccccc1Br
InChIInChI=1S/C12H8BrCl2N3O2/c13-7-3-1-2-4-9(7)17-10(19)6-18-12(20)11(15)8(14)5-16-18/h1-5H,6H2,(H,17,19)
InChIKeyLOUSHRQNYUMYMV-UHFFFAOYSA-N
MW377.03 g/mol
LogP2.95
Rot. Bonds3

About N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (PubChem CID 2098968) has the molecular formula C12H8BrCl2N3O2 and a molecular weight of 377.03 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
PubChem CID2098968
Molecular FormulaC12H8BrCl2N3O2
Molecular Weight377.03 g/mol
Exact Mass374.92
IUPAC NameN-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccccc1Br
InChIInChI=1S/C12H8BrCl2N3O2/c13-7-3-1-2-4-9(7)17-10(19)6-18-12(20)11(15)8(14)5-16-18/h1-5H,6H2,(H,17,19)
InChIKeyLOUSHRQNYUMYMV-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.03
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 5236251
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 2585171
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide
CID 2096926
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2365320
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2585037
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2106745
2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55989170
N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115885261
2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one
CID 7844651
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 3647379
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 8862190

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (CID 2098968) is N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The InChIKey is LOUSHRQNYUMYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N3O2/c13-7-3-1-2-4-9(7)17-10(19)6-18-12(20)11(15)8(14)5-16-18/h1-5H,6H2,(H,17,19).
What are the key properties of N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide has a molecular weight of 377.03 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 2098968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).