2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide

C22H19F2N3O2 — CID 137098129

IUPAC2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide
SMILESCC(C)=Cc1nc(-c2ccc(O)cc2)cnc1NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2N3O2/c1-13(2)9-19-22(25-12-20(26-19)15-4-6-16(28)7-5-15)27-21(29)11-14-3-8-17(23)18(24)10-14/h3-10,12,28H,11H2,1-2H3,(H,25,27,29)
InChIKeyCWZFPYARWPOZHB-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.73
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide

2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide (PubChem CID 137098129) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide
PubChem CID137098129
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide
SMILESCC(C)=Cc1nc(-c2ccc(O)cc2)cnc1NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2N3O2/c1-13(2)9-19-22(25-12-20(26-19)15-4-6-16(28)7-5-15)27-21(29)11-14-3-8-17(23)18(24)10-14/h3-10,12,28H,11H2,1-2H3,(H,25,27,29)
InChIKeyCWZFPYARWPOZHB-UHFFFAOYSA-N
XLogP4.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide (CID 137098129) is 2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide is CC(C)=Cc1nc(-c2ccc(O)cc2)cnc1NC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide?
The InChIKey is CWZFPYARWPOZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-13(2)9-19-22(25-12-20(26-19)15-4-6-16(28)7-5-15)27-21(29)11-14-3-8-17(23)18(24)10-14/h3-10,12,28H,11H2,1-2H3,(H,25,27,29).
What are the key properties of 2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide?
2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide has a molecular weight of 395.41 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[5-(4-hydroxyphenyl)-3-(2-methylprop-1-enyl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 137098129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).