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

C24H18ClFN4O — CID 46322466

IUPACN-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1
InChIInChI=1S/C24H18ClFN4O/c25-19-9-7-16(8-10-19)15-27-24(31)18-4-2-6-21(14-18)28-23-12-11-22(29-30-23)17-3-1-5-20(26)13-17/h1-14H,15H2,(H,27,31)(H,28,30)
InChIKeySGZBRTKOKHATKJ-UHFFFAOYSA-N
MW432.89 g/mol
LogP5.61
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 46322466) has the molecular formula C24H18ClFN4O and a molecular weight of 432.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
PubChem CID46322466
Molecular FormulaC24H18ClFN4O
Molecular Weight432.89 g/mol
Exact Mass432.12
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1
InChIInChI=1S/C24H18ClFN4O/c25-19-9-7-16(8-10-19)15-27-24(31)18-4-2-6-21(14-18)28-23-12-11-22(29-30-23)17-3-1-5-20(26)13-17/h1-14H,15H2,(H,27,31)(H,28,30)
InChIKeySGZBRTKOKHATKJ-UHFFFAOYSA-N
XLogP5.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.89
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322448
N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320705
N-[(4-chlorophenyl)methyl]-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109170915
3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46322434
N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322454
N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066
N-benzyl-3-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331347
3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
CID 113049968
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 164589472
N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808510
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-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide (CID 46322466) is N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide is O=C(NCc1ccc(Cl)cc1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is SGZBRTKOKHATKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O/c25-19-9-7-16(8-10-19)15-27-24(31)18-4-2-6-21(14-18)28-23-12-11-22(29-30-23)17-3-1-5-20(26)13-17/h1-14H,15H2,(H,27,31)(H,28,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide?
N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 432.89 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 46322466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).