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

C17H20ClN3O3 — CID 122176496

IUPAC2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCC1CCCO1
InChIInChI=1S/C17H20ClN3O3/c18-13-5-3-12(4-6-13)15-7-8-17(23)21(20-15)11-16(22)19-10-14-2-1-9-24-14/h3-6,14H,1-2,7-11H2,(H,19,22)
InChIKeyILRFHBFAQFQPJT-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.96
Rot. Bonds5

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

2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 122176496) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID122176496
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCC1CCCO1
InChIInChI=1S/C17H20ClN3O3/c18-13-5-3-12(4-6-13)15-7-8-17(23)21(20-15)11-16(22)19-10-14-2-1-9-24-14/h3-6,14H,1-2,7-11H2,(H,19,22)
InChIKeyILRFHBFAQFQPJT-UHFFFAOYSA-N
XLogP1.96
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 5904279
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 2937149
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-[2-(4-chlorophenyl)ethyl]acetamide
CID 16034248
N-{3-[butyl(methyl)amino]propyl}-2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968222
N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053348
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-[2-(diisobutylamino)ethyl]acetamide
CID 20968208
N-(oxolan-2-ylmethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 24789941
2-[2-(3-chlorobenzylidene)hydrazino]-2-oxo-N-(tetrahydro-2-furanylmethyl)acetamide
CID 5336011
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-(2-phenylethyl)acetamide
CID 16034247
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158113

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 122176496) is 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCC1CCCO1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ILRFHBFAQFQPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c18-13-5-3-12(4-6-13)15-7-8-17(23)21(20-15)11-16(22)19-10-14-2-1-9-24-14/h3-6,14H,1-2,7-11H2,(H,19,22).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 349.82 g/mol, XLogP of 1.96, 5 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 122176496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).