4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide

C19H17FN4O — CID 113042326

IUPAC4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCCc2ccccc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O/c20-16-8-6-15(7-9-16)19(25)22-18-11-10-17(23-24-18)21-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23)(H,22,24,25)
InChIKeyMDRJMUAEUHBFCA-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.52
Rot. Bonds6

About 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide

4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide (PubChem CID 113042326) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
PubChem CID113042326
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCCc2ccccc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O/c20-16-8-6-15(7-9-16)19(25)22-18-11-10-17(23-24-18)21-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23)(H,22,24,25)
InChIKeyMDRJMUAEUHBFCA-UHFFFAOYSA-N
XLogP3.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042323
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113042585
4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044092
4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide
CID 113043194
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113042583
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide
CID 113044463
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042530
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413
4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide
CID 134093579
3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044091
2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042355

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide (CID 113042326) is 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(NCCc2ccccc2)nn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide?
The InChIKey is MDRJMUAEUHBFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-16-8-6-15(7-9-16)19(25)22-18-11-10-17(23-24-18)21-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23)(H,22,24,25).
What are the key properties of 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide?
4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide has a molecular weight of 336.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113042326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).