N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide

C19H16FN5O2 — CID 113049285

IUPACN-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C19H16FN5O2/c1-12(26)21-15-6-8-16(9-7-15)22-17-10-11-18(25-24-17)23-19(27)13-2-4-14(20)5-3-13/h2-11H,1H3,(H,21,26)(H,22,24)(H,23,25,27)
InChIKeyFQFHKKBWBGGQSR-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.57
Rot. Bonds5

About N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide

N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide (PubChem CID 113049285) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
PubChem CID113049285
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C19H16FN5O2/c1-12(26)21-15-6-8-16(9-7-15)22-17-10-11-18(25-24-17)23-19(27)13-2-4-14(20)5-3-13/h2-11H,1H3,(H,21,26)(H,22,24)(H,23,25,27)
InChIKeyFQFHKKBWBGGQSR-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-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
CID 113049292
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113047284
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045599
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051478
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
CID 113049942
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide (CID 113049285) is N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide is CC(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide?
The InChIKey is FQFHKKBWBGGQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-12(26)21-15-6-8-16(9-7-15)22-17-10-11-18(25-24-17)23-19(27)13-2-4-14(20)5-3-13/h2-11H,1H3,(H,21,26)(H,22,24)(H,23,25,27).
What are the key properties of N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide?
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-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-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 113049285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).