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

C25H21FN4O — CID 46322454

IUPACN-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1C
InChIInChI=1S/C25H21FN4O/c1-16-9-10-22(13-17(16)2)28-25(31)19-6-4-8-21(15-19)27-24-12-11-23(29-30-24)18-5-3-7-20(26)14-18/h3-15H,1-2H3,(H,27,30)(H,28,31)
InChIKeyKSDZFDZOKNAUHG-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.90
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 46322454) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
PubChem CID46322454
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC NameN-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1C
InChIInChI=1S/C25H21FN4O/c1-16-9-10-22(13-17(16)2)28-25(31)19-6-4-8-21(15-19)27-24-12-11-23(29-30-24)18-5-3-7-20(26)14-18/h3-15H,1-2H3,(H,27,30)(H,28,31)
InChIKeyKSDZFDZOKNAUHG-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322448
N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327207
N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46320760
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113049056
N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322365
N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327073
N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322466
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778639
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide (CID 46322454) is N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide is Cc1ccc(NC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is KSDZFDZOKNAUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c1-16-9-10-22(13-17(16)2)28-25(31)19-6-4-8-21(15-19)27-24-12-11-23(29-30-24)18-5-3-7-20(26)14-18/h3-15H,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
N-(3,4-dimethylphenyl)-3-[[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-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 46322454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).