2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide

C15H18ClN3O3 — CID 122176497

IUPAC2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C15H18ClN3O3/c1-22-9-8-17-14(20)10-19-15(21)7-6-13(18-19)11-2-4-12(16)5-3-11/h2-5H,6-10H2,1H3,(H,17,20)
InChIKeyZKEYNCHMPHQZAE-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.43
Rot. Bonds6

About 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide

2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 122176497) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID122176497
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C15H18ClN3O3/c1-22-9-8-17-14(20)10-19-15(21)7-6-13(18-19)11-2-4-12(16)5-3-11/h2-5H,6-10H2,1H3,(H,17,20)
InChIKeyZKEYNCHMPHQZAE-UHFFFAOYSA-N
XLogP1.43
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl [3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetate
CID 6624390
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 5904279
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 6375481
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3665845
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[(4-fluorophenyl)methyl]acetamide
CID 16000055
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 16034248
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-[3-(diisobutylamino)propyl]acetamide
CID 16034255
N-{3-[butyl(methyl)amino]propyl}-2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968222
(E)-N-(2-(2-(4-chlorobenzylidene)hydrazinyl)-2-oxoethyl)-2-phenylacetamide
CID 9677719
2-(4-chlorophenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]acetamide
CID 6065751
N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 15993418

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 122176497) is 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is ZKEYNCHMPHQZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-22-9-8-17-14(20)10-19-15(21)7-6-13(18-19)11-2-4-12(16)5-3-11/h2-5H,6-10H2,1H3,(H,17,20).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 323.78 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 122176497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).