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

C19H15FN4O4 — CID 7665461

IUPACN-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)ccc2=O)cc1F
InChIInChI=1S/C19H15FN4O4/c1-12-2-5-14(10-16(12)20)21-18(25)11-23-19(26)9-8-17(22-23)13-3-6-15(7-4-13)24(27)28/h2-10H,11H2,1H3,(H,21,25)
InChIKeyFOBPGRKGQAAQPA-UHFFFAOYSA-N
MW382.35 g/mol
LogP2.90
Rot. Bonds5

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

N-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7665461) has the molecular formula C19H15FN4O4 and a molecular weight of 382.35 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7665461
Molecular FormulaC19H15FN4O4
Molecular Weight382.35 g/mol
Exact Mass382.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)ccc2=O)cc1F
InChIInChI=1S/C19H15FN4O4/c1-12-2-5-14(10-16(12)20)21-18(25)11-23-19(26)9-8-17(22-23)13-3-6-15(7-4-13)24(27)28/h2-10H,11H2,1H3,(H,21,25)
InChIKeyFOBPGRKGQAAQPA-UHFFFAOYSA-N
XLogP2.90
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide (CID 7665461) is N-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(NC(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)ccc2=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is FOBPGRKGQAAQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4/c1-12-2-5-14(10-16(12)20)21-18(25)11-23-19(26)9-8-17(22-23)13-3-6-15(7-4-13)24(27)28/h2-10H,11H2,1H3,(H,21,25).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 382.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[3-(4-nitrophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7665461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).