4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide

C11H8FN3O2 — CID 116786641

IUPAC4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1ccc(F)cc1
InChIInChI=1S/C11H8FN3O2/c12-8-3-1-7(2-4-8)11(17)13-9-5-6-10(16)15-14-9/h1-6H,(H,15,16)(H,13,14,17)
InChIKeyWMSBRPFIOGEHCW-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.16
Rot. Bonds2

About 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide

4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide (PubChem CID 116786641) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
PubChem CID116786641
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1ccc(F)cc1
InChIInChI=1S/C11H8FN3O2/c12-8-3-1-7(2-4-8)11(17)13-9-5-6-10(16)15-14-9/h1-6H,(H,15,16)(H,13,14,17)
InChIKeyWMSBRPFIOGEHCW-UHFFFAOYSA-N
XLogP1.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[4-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 116787743
4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide
CID 116787203
6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide
CID 116787217
4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116786983
N-(6-oxo-1H-pyridazin-3-yl)-1H-indazole-6-carboxamide
CID 116787487
3-fluoro-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
CID 105387664
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
CID 116787224
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023565
2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 114020151
2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
CID 116786621
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide (CID 116786641) is 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide is O=C(Nc1ccc(=O)[nH]n1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The InChIKey is WMSBRPFIOGEHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-8-3-1-7(2-4-8)11(17)13-9-5-6-10(16)15-14-9/h1-6H,(H,15,16)(H,13,14,17).
What are the key properties of 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide has a molecular weight of 233.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 116786641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).