N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide

C18H12Cl2N4O4 — CID 41376567

IUPACN-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H12Cl2N4O4/c19-12-7-13(20)9-14(8-12)21-17(25)10-23-18(26)5-4-16(22-23)11-2-1-3-15(6-11)24(27)28/h1-9H,10H2,(H,21,25)
InChIKeyOZNQNXHUJATSIT-UHFFFAOYSA-N
MW419.22 g/mol
LogP3.76
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide

N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 41376567) has the molecular formula C18H12Cl2N4O4 and a molecular weight of 419.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID41376567
Molecular FormulaC18H12Cl2N4O4
Molecular Weight419.22 g/mol
Exact Mass418.02
IUPAC NameN-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H12Cl2N4O4/c19-12-7-13(20)9-14(8-12)21-17(25)10-23-18(26)5-4-16(22-23)11-2-1-3-15(6-11)24(27)28/h1-9H,10H2,(H,21,25)
InChIKeyOZNQNXHUJATSIT-UHFFFAOYSA-N
XLogP3.76
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.22
LogP ≤ 53.76
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-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665621
N-(1,3-benzodioxol-5-yl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665617
N-(2,4-dimethylphenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665589
N-(2,5-dimethylphenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665571
N-(3,5-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052684
2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one
CID 71864720
N-(3,5-dichlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 41376369
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
N-(4-nitrophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052626
2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7665455
N-(3-chlorophenyl)-2-[4-(3-nitrophenyl)-1-oxophthalazin-2-yl]acetamide
CID 1422902
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 121051622

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide (CID 41376567) is N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is OZNQNXHUJATSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O4/c19-12-7-13(20)9-14(8-12)21-17(25)10-23-18(26)5-4-16(22-23)11-2-1-3-15(6-11)24(27)28/h1-9H,10H2,(H,21,25).
What are the key properties of N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide?
N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 419.22 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 41376567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).