2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

C18H18ClN5O — CID 122307372

IUPAC2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCCNc1ccc(-n2cccc2)nn1
InChIInChI=1S/C18H18ClN5O/c19-15-6-2-1-5-14(15)13-18(25)21-10-9-20-16-7-8-17(23-22-16)24-11-3-4-12-24/h1-8,11-12H,9-10,13H2,(H,20,22)(H,21,25)
InChIKeyJJESCDXYLWRLBH-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.69
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (PubChem CID 122307372) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
PubChem CID122307372
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCCNc1ccc(-n2cccc2)nn1
InChIInChI=1S/C18H18ClN5O/c19-15-6-2-1-5-14(15)13-18(25)21-10-9-20-16-7-8-17(23-22-16)24-11-3-4-12-24/h1-8,11-12H,9-10,13H2,(H,20,22)(H,21,25)
InChIKeyJJESCDXYLWRLBH-UHFFFAOYSA-N
XLogP2.69
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288805
1-(2-ethylphenyl)-3-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122307316
3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
CID 122307613
4-bromo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307616
4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307431
1-(3-chloro-4-methylphenyl)-3-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122307308
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122307300
4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide
CID 122307419
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122307526
4-butoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 71799880
1-(2,5-difluorophenyl)-3-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122307361
2-(2-chlorophenyl)-N-[2-(furan-3-yl)ethyl]acetamide
CID 71798453

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (CID 122307372) is 2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is O=C(Cc1ccccc1Cl)NCCNc1ccc(-n2cccc2)nn1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The InChIKey is JJESCDXYLWRLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-15-6-2-1-5-14(15)13-18(25)21-10-9-20-16-7-8-17(23-22-16)24-11-3-4-12-24/h1-8,11-12H,9-10,13H2,(H,20,22)(H,21,25).
What are the key properties of 2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide has a molecular weight of 355.83 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122307372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).