N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C16H11FN4O4S — CID 7659589

IUPACN-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H11FN4O4S/c17-11-4-3-10(8-13(11)21(24)25)18-15(22)9-20-16(23)6-5-12(19-20)14-2-1-7-26-14/h1-8H,9H2,(H,18,22)
InChIKeyHNLHREZAIBJXRB-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.66
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 7659589) has the molecular formula C16H11FN4O4S and a molecular weight of 374.35 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID7659589
Molecular FormulaC16H11FN4O4S
Molecular Weight374.35 g/mol
Exact Mass374.05
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H11FN4O4S/c17-11-4-3-10(8-13(11)21(24)25)18-15(22)9-20-16(23)6-5-12(19-20)14-2-1-7-26-14/h1-8H,9H2,(H,18,22)
InChIKeyHNLHREZAIBJXRB-UHFFFAOYSA-N
XLogP2.66
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 7659589) is N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is HNLHREZAIBJXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O4S/c17-11-4-3-10(8-13(11)21(24)25)18-15(22)9-20-16(23)6-5-12(19-20)14-2-1-7-26-14/h1-8H,9H2,(H,18,22).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 374.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 7659589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).