2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide

C25H20ClN3O4 — CID 53346524

IUPAC2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
SMILESCOc1ccc(Oc2c(Cl)cnn(CC(=O)Nc3ccccc3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C25H20ClN3O4/c1-32-18-11-13-19(14-12-18)33-24-21(26)15-27-29(25(24)31)16-23(30)28-22-10-6-5-9-20(22)17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,28,30)
InChIKeyUPHDQBBQARYAEZ-UHFFFAOYSA-N
MW461.91 g/mol
LogP5.00
Rot. Bonds7

About 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide

2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide (PubChem CID 53346524) has the molecular formula C25H20ClN3O4 and a molecular weight of 461.91 g/mol. Its IUPAC name is 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
PubChem CID53346524
Molecular FormulaC25H20ClN3O4
Molecular Weight461.91 g/mol
Exact Mass461.11
IUPAC Name2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
SMILESCOc1ccc(Oc2c(Cl)cnn(CC(=O)Nc3ccccc3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C25H20ClN3O4/c1-32-18-11-13-19(14-12-18)33-24-21(26)15-27-29(25(24)31)16-23(30)28-22-10-6-5-9-20(22)17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,28,30)
InChIKeyUPHDQBBQARYAEZ-UHFFFAOYSA-N
XLogP5.00
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.91
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide (CID 53346524) is 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide is COc1ccc(Oc2c(Cl)cnn(CC(=O)Nc3ccccc3-c3ccccc3)c2=O)cc1.
What is the InChIKey of 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide?
The InChIKey is UPHDQBBQARYAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O4/c1-32-18-11-13-19(14-12-18)33-24-21(26)15-27-29(25(24)31)16-23(30)28-22-10-6-5-9-20(22)17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,28,30).
What are the key properties of 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide?
2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide has a molecular weight of 461.91 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 53346524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).