2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide

C17H16Cl3N3O2 — CID 166332649

IUPAC2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide
SMILESO=C(COc1cncc(Cl)n1)NC1(Cc2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C17H16Cl3N3O2/c18-12-3-2-11(13(19)6-12)7-17(4-1-5-17)23-15(24)10-25-16-9-21-8-14(20)22-16/h2-3,6,8-9H,1,4-5,7,10H2,(H,23,24)
InChIKeyWLEYIFJFJNPPJD-UHFFFAOYSA-N
MW400.69 g/mol
LogP4.10
Rot. Bonds6

About 2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide

2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide (PubChem CID 166332649) has the molecular formula C17H16Cl3N3O2 and a molecular weight of 400.69 g/mol. Its IUPAC name is 2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide
PubChem CID166332649
Molecular FormulaC17H16Cl3N3O2
Molecular Weight400.69 g/mol
Exact Mass399.03
IUPAC Name2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide
SMILESO=C(COc1cncc(Cl)n1)NC1(Cc2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C17H16Cl3N3O2/c18-12-3-2-11(13(19)6-12)7-17(4-1-5-17)23-15(24)10-25-16-9-21-8-14(20)22-16/h2-3,6,8-9H,1,4-5,7,10H2,(H,23,24)
InChIKeyWLEYIFJFJNPPJD-UHFFFAOYSA-N
XLogP4.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.69
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522174
methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate
CID 166332647
2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522356
methyl 5-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]-2-methylpyridine-3-carboxylate
CID 166332606
3-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 166332697
methyl 5-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]-1-methylpyrazole-4-carboxylate
CID 166332702
N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-4-carboxamide
CID 166332681
N-[4-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-4-oxobutyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166332630
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide
CID 167870668
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide
CID 166332692
methyl 3-[4-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]phenyl]propanoate
CID 167764169
N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide
CID 166332653

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide?
The IUPAC name of 2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide (CID 166332649) is 2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide.
What is the SMILES notation for 2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide?
The canonical SMILES for 2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide is O=C(COc1cncc(Cl)n1)NC1(Cc2ccc(Cl)cc2Cl)CCC1.
What is the InChIKey of 2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide?
The InChIKey is WLEYIFJFJNPPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O2/c18-12-3-2-11(13(19)6-12)7-17(4-1-5-17)23-15(24)10-25-16-9-21-8-14(20)22-16/h2-3,6,8-9H,1,4-5,7,10H2,(H,23,24).
What are the key properties of 2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide?
2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide has a molecular weight of 400.69 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide is sourced from PubChem (CID 166332649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).