2-amino-5-fluoro-N-pyridazin-3-ylbenzamide

C11H9FN4O — CID 116786004

IUPAC2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
SMILESNc1ccc(F)cc1C(=O)Nc1cccnn1
InChIInChI=1S/C11H9FN4O/c12-7-3-4-9(13)8(6-7)11(17)15-10-2-1-5-14-16-10/h1-6H,13H2,(H,15,16,17)
InChIKeyUFMOFKSZGCWJQQ-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.45
Rot. Bonds2

About 2-amino-5-fluoro-N-pyridazin-3-ylbenzamide

2-amino-5-fluoro-N-pyridazin-3-ylbenzamide (PubChem CID 116786004) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
PubChem CID116786004
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
SMILESNc1ccc(F)cc1C(=O)Nc1cccnn1
InChIInChI=1S/C11H9FN4O/c12-7-3-4-9(13)8(6-7)11(17)15-10-2-1-5-14-16-10/h1-6H,13H2,(H,15,16,17)
InChIKeyUFMOFKSZGCWJQQ-UHFFFAOYSA-N
XLogP1.45
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide
CID 115635735
2-amino-5-fluoro-3-nitro-N-pyridazin-3-ylbenzamide
CID 107123407
2-amino-4-bromo-N-pyridazin-3-ylbenzamide
CID 116786813
2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051392
2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819395
2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
CID 114052160
5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide
CID 114035120
5-amino-2-chloro-N-pyridazin-3-ylbenzamide
CID 116786031
3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
CID 113238408
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
2-bromo-4-chloro-N-pyridazin-3-ylbenzamide
CID 103765308
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-pyridazin-3-ylbenzamide?
The IUPAC name of 2-amino-5-fluoro-N-pyridazin-3-ylbenzamide (CID 116786004) is 2-amino-5-fluoro-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 2-amino-5-fluoro-N-pyridazin-3-ylbenzamide is Nc1ccc(F)cc1C(=O)Nc1cccnn1.
What is the InChIKey of 2-amino-5-fluoro-N-pyridazin-3-ylbenzamide?
The InChIKey is UFMOFKSZGCWJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c12-7-3-4-9(13)8(6-7)11(17)15-10-2-1-5-14-16-10/h1-6H,13H2,(H,15,16,17).
What are the key properties of 2-amino-5-fluoro-N-pyridazin-3-ylbenzamide?
2-amino-5-fluoro-N-pyridazin-3-ylbenzamide has a molecular weight of 232.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 116786004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).