5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide

C12H10F2N4O — CID 106894546

IUPAC5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2cccnn2)c(F)cc1F
InChIInChI=1S/C12H10F2N4O/c13-9-5-10(14)11(15)4-8(9)12(19)16-6-7-2-1-3-17-18-7/h1-5H,6,15H2,(H,16,19)
InChIKeyDXJMLYHJULOUJM-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.27
Rot. Bonds3

About 5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide

5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide (PubChem CID 106894546) has the molecular formula C12H10F2N4O and a molecular weight of 264.24 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
PubChem CID106894546
Molecular FormulaC12H10F2N4O
Molecular Weight264.24 g/mol
Exact Mass264.08
IUPAC Name5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2cccnn2)c(F)cc1F
InChIInChI=1S/C12H10F2N4O/c13-9-5-10(14)11(15)4-8(9)12(19)16-6-7-2-1-3-17-18-7/h1-5H,6,15H2,(H,16,19)
InChIKeyDXJMLYHJULOUJM-UHFFFAOYSA-N
XLogP1.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.27
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-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503
5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 61095317
3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894540
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106897516
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894585
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 114194058
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897715
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61117794
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106897465

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide (CID 106894546) is 5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide is Nc1cc(C(=O)NCc2cccnn2)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide?
The InChIKey is DXJMLYHJULOUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O/c13-9-5-10(14)11(15)4-8(9)12(19)16-6-7-2-1-3-17-18-7/h1-5H,6,15H2,(H,16,19).
What are the key properties of 5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide?
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide has a molecular weight of 264.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 106894546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).