2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide

C13H10Cl2N4O4 — CID 2585037

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H10Cl2N4O4/c1-7-9(3-2-4-10(7)19(22)23)17-11(20)6-18-13(21)12(15)8(14)5-16-18/h2-5H,6H2,1H3,(H,17,20)
InChIKeyYPHOZYPRNGTNJE-UHFFFAOYSA-N
MW357.15 g/mol
LogP2.41
Rot. Bonds4

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 2585037) has the molecular formula C13H10Cl2N4O4 and a molecular weight of 357.15 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID2585037
Molecular FormulaC13H10Cl2N4O4
Molecular Weight357.15 g/mol
Exact Mass356.01
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H10Cl2N4O4/c1-7-9(3-2-4-10(7)19(22)23)17-11(20)6-18-13(21)12(15)8(14)5-16-18/h2-5H,6H2,1H3,(H,17,20)
InChIKeyYPHOZYPRNGTNJE-UHFFFAOYSA-N
XLogP2.41
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2098968
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-(trifluoromethyl)phenyl]acetamide
CID 5236251
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 2585171
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 46260245
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 2498766
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 2577122
N-(2-methyl-3-nitrophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 46258676
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 24659823
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2488818

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide (CID 2585037) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is YPHOZYPRNGTNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O4/c1-7-9(3-2-4-10(7)19(22)23)17-11(20)6-18-13(21)12(15)8(14)5-16-18/h2-5H,6H2,1H3,(H,17,20).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 357.15 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 2585037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).