N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide

C25H21FN4O — CID 46320760

IUPACN-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)c1
InChIInChI=1S/C25H21FN4O/c1-16-12-17(2)14-22(13-16)28-25(31)18-6-8-21(9-7-18)27-24-11-10-23(29-30-24)19-4-3-5-20(26)15-19/h3-15H,1-2H3,(H,27,30)(H,28,31)
InChIKeyRXZHZSGHAIRXSJ-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.90
Rot. Bonds5

About N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide

N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 46320760) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
PubChem CID46320760
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC NameN-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)c1
InChIInChI=1S/C25H21FN4O/c1-16-12-17(2)14-22(13-16)28-25(31)18-6-8-21(9-7-18)27-24-11-10-23(29-30-24)19-4-3-5-20(26)15-19/h3-15H,1-2H3,(H,27,30)(H,28,31)
InChIKeyRXZHZSGHAIRXSJ-UHFFFAOYSA-N
XLogP5.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322454
N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322448
4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide
CID 46320757
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
CID 113049942
N-(3-chloro-4-methoxyphenyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320698
N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776980
4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide
CID 46320741
N-(3-bromophenyl)-4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327403
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776950
N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320705
4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 46320731

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide (CID 46320760) is N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide is Cc1cc(C)cc(NC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is RXZHZSGHAIRXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c1-16-12-17(2)14-22(13-16)28-25(31)18-6-8-21(9-7-18)27-24-11-10-23(29-30-24)19-4-3-5-20(26)15-19/h3-15H,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 412.47 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 46320760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).