4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one

C16H16Cl2N2O3 — CID 143725573

IUPAC4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one
SMILESCC(=O)c1c(O)c(C(C)C)nn(Cc2cc(Cl)ccc2Cl)c1=O
InChIInChI=1S/C16H16Cl2N2O3/c1-8(2)14-15(22)13(9(3)21)16(23)20(19-14)7-10-6-11(17)4-5-12(10)18/h4-6,8,22H,7H2,1-3H3
InChIKeyAMGGWHJYJFEUHO-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.63
Rot. Bonds4

About 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one

4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one (PubChem CID 143725573) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one
PubChem CID143725573
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one
SMILESCC(=O)c1c(O)c(C(C)C)nn(Cc2cc(Cl)ccc2Cl)c1=O
InChIInChI=1S/C16H16Cl2N2O3/c1-8(2)14-15(22)13(9(3)21)16(23)20(19-14)7-10-6-11(17)4-5-12(10)18/h4-6,8,22H,7H2,1-3H3
InChIKeyAMGGWHJYJFEUHO-UHFFFAOYSA-N
XLogP3.63
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-chloro-2-fluorophenyl)methyl]-5-hydroxy-3-oxo-6-propan-2-ylpyridazine-4-carboxylate
CID 68815433
1-[(2,5-dichlorophenyl)methyl]-5-propan-2-yltriazole-4-carboxylic acid
CID 65321554
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]ethanone
CID 79106517
2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
CID 54739224
4-(2,5-dichlorophenyl)-3-methylbutan-2-one
CID 65316691
1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one
CID 105102601
4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one
CID 116606347
1-(2,5-dichlorophenyl)-4,5,5-trimethylhexan-2-one
CID 114973862
carbanide;2-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one;ethane;yttrium
CID 159948341
1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095260
3-[(2,5-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65316606
2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739149

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one (CID 143725573) is 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one is CC(=O)c1c(O)c(C(C)C)nn(Cc2cc(Cl)ccc2Cl)c1=O.
What is the InChIKey of 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one?
The InChIKey is AMGGWHJYJFEUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-8(2)14-15(22)13(9(3)21)16(23)20(19-14)7-10-6-11(17)4-5-12(10)18/h4-6,8,22H,7H2,1-3H3.
What are the key properties of 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one?
4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one has a molecular weight of 355.22 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[(2,5-dichlorophenyl)methyl]-5-hydroxy-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 143725573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).