2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

C17H16Cl2N6O2 — CID 122292661

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C17H16Cl2N6O2/c18-12-2-3-14(13(19)10-12)27-11-17(26)21-8-7-20-15-4-5-16(24-23-15)25-9-1-6-22-25/h1-6,9-10H,7-8,11H2,(H,20,23)(H,21,26)
InChIKeyOIOJGSJKCDJDMG-UHFFFAOYSA-N
MW407.26 g/mol
LogP2.58
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (PubChem CID 122292661) has the molecular formula C17H16Cl2N6O2 and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
PubChem CID122292661
Molecular FormulaC17H16Cl2N6O2
Molecular Weight407.26 g/mol
Exact Mass406.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C17H16Cl2N6O2/c18-12-2-3-14(13(19)10-12)27-11-17(26)21-8-7-20-15-4-5-16(24-23-15)25-9-1-6-22-25/h1-6,9-10H,7-8,11H2,(H,20,23)(H,21,26)
InChIKeyOIOJGSJKCDJDMG-UHFFFAOYSA-N
XLogP2.58
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292804
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2-methoxyphenoxy)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122289854
2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327185
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 108541628
2-(2,4-dichlorophenoxy)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122325285
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292723
2-(2,4-dichlorophenoxy)-N-(3-pyridin-2-ylpropyl)acetamide
CID 110660985

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (CID 122292661) is 2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCNc1ccc(-n2cccn2)nn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The InChIKey is OIOJGSJKCDJDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6O2/c18-12-2-3-14(13(19)10-12)27-11-17(26)21-8-7-20-15-4-5-16(24-23-15)25-9-1-6-22-25/h1-6,9-10H,7-8,11H2,(H,20,23)(H,21,26).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide has a molecular weight of 407.26 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122292661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).