N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide

C25H21BrN4O — CID 46320750

IUPACN-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1ccc(-c2ccc(Nc3ccc(C(=O)NCc4ccc(Br)cc4)cc3)nn2)cc1
InChIInChI=1S/C25H21BrN4O/c1-17-2-6-19(7-3-17)23-14-15-24(30-29-23)28-22-12-8-20(9-13-22)25(31)27-16-18-4-10-21(26)11-5-18/h2-15H,16H2,1H3,(H,27,31)(H,28,30)
InChIKeyUZPCNHXBPHDBLZ-UHFFFAOYSA-N
MW473.37 g/mol
LogP5.89
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide

N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 46320750) has the molecular formula C25H21BrN4O and a molecular weight of 473.37 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
PubChem CID46320750
Molecular FormulaC25H21BrN4O
Molecular Weight473.37 g/mol
Exact Mass472.09
IUPAC NameN-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1ccc(-c2ccc(Nc3ccc(C(=O)NCc4ccc(Br)cc4)cc3)nn2)cc1
InChIInChI=1S/C25H21BrN4O/c1-17-2-6-19(7-3-17)23-14-15-24(30-29-23)28-22-12-8-20(9-13-22)25(31)27-16-18-4-10-21(26)11-5-18/h2-15H,16H2,1H3,(H,27,31)(H,28,30)
InChIKeyUZPCNHXBPHDBLZ-UHFFFAOYSA-N
XLogP5.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.37
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 46320731
N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320705
3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46322434
N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320713
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320745
N-(1,3-benzodioxol-5-ylmethyl)-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 50776966
6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347458
N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320738
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide (CID 46320750) is N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide is Cc1ccc(-c2ccc(Nc3ccc(C(=O)NCc4ccc(Br)cc4)cc3)nn2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is UZPCNHXBPHDBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN4O/c1-17-2-6-19(7-3-17)23-14-15-24(30-29-23)28-22-12-8-20(9-13-22)25(31)27-16-18-4-10-21(26)11-5-18/h2-15H,16H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide?
N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 473.37 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 46320750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).