N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide

C25H21FN4O — CID 46322448

IUPACN-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
SMILESCCc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1
InChIInChI=1S/C25H21FN4O/c1-2-17-9-11-21(12-10-17)28-25(31)19-6-4-8-22(16-19)27-24-14-13-23(29-30-24)18-5-3-7-20(26)15-18/h3-16H,2H2,1H3,(H,27,30)(H,28,31)
InChIKeyMEKIWQIHWAWRNR-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.84
Rot. Bonds6

About N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide

N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 46322448) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
PubChem CID46322448
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC NameN-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
SMILESCCc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1
InChIInChI=1S/C25H21FN4O/c1-2-17-9-11-21(12-10-17)28-25(31)19-6-4-8-22(16-19)27-24-14-13-23(29-30-24)18-5-3-7-20(26)15-18/h3-16H,2H2,1H3,(H,27,30)(H,28,31)
InChIKeyMEKIWQIHWAWRNR-UHFFFAOYSA-N
XLogP5.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.84
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-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322466
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46320760
N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113049056
4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide
CID 46320757
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473
N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322365
N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327207
N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322363
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
CID 113049968

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide (CID 46322448) is N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide is CCc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is MEKIWQIHWAWRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c1-2-17-9-11-21(12-10-17)28-25(31)19-6-4-8-22(16-19)27-24-14-13-23(29-30-24)18-5-3-7-20(26)15-18/h3-16H,2H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 412.47 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 46322448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).