2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide

C23H23Cl2N5O2 — CID 43992897

IUPAC2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCN1CCN(c2ccc(-c3ccc(NC(=O)COc4cc(Cl)ccc4Cl)cc3)nn2)CC1
InChIInChI=1S/C23H23Cl2N5O2/c1-29-10-12-30(13-11-29)22-9-8-20(27-28-22)16-2-5-18(6-3-16)26-23(31)15-32-21-14-17(24)4-7-19(21)25/h2-9,14H,10-13,15H2,1H3,(H,26,31)
InChIKeyDXBOEQQORNQZEB-UHFFFAOYSA-N
MW472.38 g/mol
LogP4.22
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide

2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide (PubChem CID 43992897) has the molecular formula C23H23Cl2N5O2 and a molecular weight of 472.38 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
PubChem CID43992897
Molecular FormulaC23H23Cl2N5O2
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCN1CCN(c2ccc(-c3ccc(NC(=O)COc4cc(Cl)ccc4Cl)cc3)nn2)CC1
InChIInChI=1S/C23H23Cl2N5O2/c1-29-10-12-30(13-11-29)22-9-8-20(27-28-22)16-2-5-18(6-3-16)26-23(31)15-32-21-14-17(24)4-7-19(21)25/h2-9,14H,10-13,15H2,1H3,(H,26,31)
InChIKeyDXBOEQQORNQZEB-UHFFFAOYSA-N
XLogP4.22
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992034
2-(2-methoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992910
2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992887
2-(2-chlorophenyl)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992928
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 43992920
2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
CID 55742632
2-(2,5-dichlorophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 34444546
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 43992652
2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992490
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220
2-(2,5-dichlorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2588764
2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992358

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide (CID 43992897) is 2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide is CN1CCN(c2ccc(-c3ccc(NC(=O)COc4cc(Cl)ccc4Cl)cc3)nn2)CC1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The InChIKey is DXBOEQQORNQZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O2/c1-29-10-12-30(13-11-29)22-9-8-20(27-28-22)16-2-5-18(6-3-16)26-23(31)15-32-21-14-17(24)4-7-19(21)25/h2-9,14H,10-13,15H2,1H3,(H,26,31).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide?
2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide has a molecular weight of 472.38 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 43992897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).