2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide

C20H23Cl2N3O3 — CID 169318868

IUPAC2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H23Cl2N3O3/c1-11(2)19-15(14-6-12(21)4-5-16(14)22)7-18(27)25(24-19)10-17(26)23-13-8-20(3,28)9-13/h4-7,11,13,28H,8-10H2,1-3H3,(H,23,26)
InChIKeyCDVBQWUEKVGKHD-UHFFFAOYSA-N
MW424.33 g/mol
LogP3.37
Rot. Bonds5

About 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide

2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide (PubChem CID 169318868) has the molecular formula C20H23Cl2N3O3 and a molecular weight of 424.33 g/mol. Its IUPAC name is 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
PubChem CID169318868
Molecular FormulaC20H23Cl2N3O3
Molecular Weight424.33 g/mol
Exact Mass423.11
IUPAC Name2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H23Cl2N3O3/c1-11(2)19-15(14-6-12(21)4-5-16(14)22)7-18(27)25(24-19)10-17(26)23-13-8-20(3,28)9-13/h4-7,11,13,28H,8-10H2,1-3H3,(H,23,26)
InChIKeyCDVBQWUEKVGKHD-UHFFFAOYSA-N
XLogP3.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The IUPAC name of 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide (CID 169318868) is 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide is CC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The InChIKey is CDVBQWUEKVGKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3/c1-11(2)19-15(14-6-12(21)4-5-16(14)22)7-18(27)25(24-19)10-17(26)23-13-8-20(3,28)9-13/h4-7,11,13,28H,8-10H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide has a molecular weight of 424.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 169318868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).