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

C18H21Cl2N3O3 — CID 9492218

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C18H21Cl2N3O3/c1-18(2,3)12-4-6-13(7-5-12)26-9-8-21-15(24)11-23-17(25)16(20)14(19)10-22-23/h4-7,10H,8-9,11H2,1-3H3,(H,21,24)
InChIKeyLGHOBJYNUIMGBP-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.04
Rot. Bonds6

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

N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (PubChem CID 9492218) has the molecular formula C18H21Cl2N3O3 and a molecular weight of 398.29 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
PubChem CID9492218
Molecular FormulaC18H21Cl2N3O3
Molecular Weight398.29 g/mol
Exact Mass397.10
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C18H21Cl2N3O3/c1-18(2,3)12-4-6-13(7-5-12)26-9-8-21-15(24)11-23-17(25)16(20)14(19)10-22-23/h4-7,10H,8-9,11H2,1-3H3,(H,21,24)
InChIKeyLGHOBJYNUIMGBP-UHFFFAOYSA-N
XLogP3.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2701039
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9342014
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9492221
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9490169
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7844572
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
N-[2-(4-tert-butylphenoxy)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202382
N-[2-(4-tert-butylphenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 9261679
4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7419620
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 4277387
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2408214

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (CID 9492218) is N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is CC(C)(C)c1ccc(OCCNC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The InChIKey is LGHOBJYNUIMGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3/c1-18(2,3)12-4-6-13(7-5-12)26-9-8-21-15(24)11-23-17(25)16(20)14(19)10-22-23/h4-7,10H,8-9,11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide has a molecular weight of 398.29 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 9492218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).