N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide

C19H16FN5O2 — CID 113049219

IUPACN-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)c3ccccc3F)nn2)c1
InChIInChI=1S/C19H16FN5O2/c1-12(26)21-13-5-4-6-14(11-13)22-17-9-10-18(25-24-17)23-19(27)15-7-2-3-8-16(15)20/h2-11H,1H3,(H,21,26)(H,22,24)(H,23,25,27)
InChIKeyYPDBGFBMTRJIQR-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.57
Rot. Bonds5

About N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide

N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide (PubChem CID 113049219) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide
PubChem CID113049219
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)c3ccccc3F)nn2)c1
InChIInChI=1S/C19H16FN5O2/c1-12(26)21-13-5-4-6-14(11-13)22-17-9-10-18(25-24-17)23-19(27)15-7-2-3-8-16(15)20/h2-11H,1H3,(H,21,26)(H,22,24)(H,23,25,27)
InChIKeyYPDBGFBMTRJIQR-UHFFFAOYSA-N
XLogP3.57
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049239
N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113049056
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113049086
methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049347
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
N-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865645
N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide
CID 113047134
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965483
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide (CID 113049219) is N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide is CC(=O)Nc1cccc(Nc2ccc(NC(=O)c3ccccc3F)nn2)c1.
What is the InChIKey of N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide?
The InChIKey is YPDBGFBMTRJIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-12(26)21-13-5-4-6-14(11-13)22-17-9-10-18(25-24-17)23-19(27)15-7-2-3-8-16(15)20/h2-11H,1H3,(H,21,26)(H,22,24)(H,23,25,27).
What are the key properties of N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide?
N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide has a molecular weight of 365.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 113049219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).