2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C15H15Cl2N3O3 — CID 2701039

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C15H15Cl2N3O3/c1-23-11-4-2-10(3-5-11)6-7-18-13(21)9-20-15(22)14(17)12(16)8-19-20/h2-5,8H,6-7,9H2,1H3,(H,18,21)
InChIKeyOUVRTZJZBPKMTL-UHFFFAOYSA-N
MW356.21 g/mol
LogP1.92
Rot. Bonds6

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 2701039) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID2701039
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C15H15Cl2N3O3/c1-23-11-4-2-10(3-5-11)6-7-18-13(21)9-20-15(22)14(17)12(16)8-19-20/h2-5,8H,6-7,9H2,1H3,(H,18,21)
InChIKeyOUVRTZJZBPKMTL-UHFFFAOYSA-N
XLogP1.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 9492218
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 52900581
N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 9492189
N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050345
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 7694826
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
N-[2-(4-methoxyphenyl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559368
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9368902
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 52905386
2-[6-[(4-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 23601377
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 2701039) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is OUVRTZJZBPKMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c1-23-11-4-2-10(3-5-11)6-7-18-13(21)9-20-15(22)14(17)12(16)8-19-20/h2-5,8H,6-7,9H2,1H3,(H,18,21).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 356.21 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2701039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).