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

C23H23Cl2N5O2 — CID 43992034

IUPAC2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCN1CCN(c2ccc(-c3cccc(NC(=O)COc4cc(Cl)ccc4Cl)c3)nn2)CC1
InChIInChI=1S/C23H23Cl2N5O2/c1-29-9-11-30(12-10-29)22-8-7-20(27-28-22)16-3-2-4-18(13-16)26-23(31)15-32-21-14-17(24)5-6-19(21)25/h2-8,13-14H,9-12,15H2,1H3,(H,26,31)
InChIKeyCMFLPASUBXVCQN-UHFFFAOYSA-N
MW472.38 g/mol
LogP4.22
Rot. Bonds6

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

2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide (PubChem CID 43992034) has the molecular formula C23H23Cl2N5O2 and a molecular weight of 472.38 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
PubChem CID43992034
Molecular FormulaC23H23Cl2N5O2
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCN1CCN(c2ccc(-c3cccc(NC(=O)COc4cc(Cl)ccc4Cl)c3)nn2)CC1
InChIInChI=1S/C23H23Cl2N5O2/c1-29-9-11-30(12-10-29)22-8-7-20(27-28-22)16-3-2-4-18(13-16)26-23(31)15-32-21-14-17(24)5-6-19(21)25/h2-8,13-14H,9-12,15H2,1H3,(H,26,31)
InChIKeyCMFLPASUBXVCQN-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-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992897
2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991488
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-chlorophenoxy)acetamide
CID 41077765
N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide
CID 7593151
2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991643
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 43991919
2-(2-methoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992910
5-chloro-2-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30295138
2-(2,5-dichlorophenoxy)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 46691858
2-(2-ethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43991905
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
CID 8670390
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide (CID 43992034) is 2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide is CN1CCN(c2ccc(-c3cccc(NC(=O)COc4cc(Cl)ccc4Cl)c3)nn2)CC1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The InChIKey is CMFLPASUBXVCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O2/c1-29-9-11-30(12-10-29)22-8-7-20(27-28-22)16-3-2-4-18(13-16)26-23(31)15-32-21-14-17(24)5-6-19(21)25/h2-8,13-14H,9-12,15H2,1H3,(H,26,31).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide?
2-(2,5-dichlorophenoxy)-N-[3-[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-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 43992034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).