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

C22H19F2N3O — CID 70830301

IUPAC2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide
SMILESCC(C)=Cc1nc(-c2ccccc2)cnc1NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2N3O/c1-14(2)10-19-22(25-13-20(26-19)16-6-4-3-5-7-16)27-21(28)12-15-8-9-17(23)18(24)11-15/h3-11,13H,12H2,1-2H3,(H,25,27,28)
InChIKeyTZFVYZZCPVIISP-UHFFFAOYSA-N
MW379.41 g/mol
LogP5.03
Rot. Bonds5

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

2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide (PubChem CID 70830301) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide
PubChem CID70830301
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC Name2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide
SMILESCC(C)=Cc1nc(-c2ccccc2)cnc1NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2N3O/c1-14(2)10-19-22(25-13-20(26-19)16-6-4-3-5-7-16)27-21(28)12-15-8-9-17(23)18(24)11-15/h3-11,13H,12H2,1-2H3,(H,25,27,28)
InChIKeyTZFVYZZCPVIISP-UHFFFAOYSA-N
XLogP5.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide (CID 70830301) is 2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide is CC(C)=Cc1nc(-c2ccccc2)cnc1NC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide?
The InChIKey is TZFVYZZCPVIISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O/c1-14(2)10-19-22(25-13-20(26-19)16-6-4-3-5-7-16)27-21(28)12-15-8-9-17(23)18(24)11-15/h3-11,13H,12H2,1-2H3,(H,25,27,28).
What are the key properties of 2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide?
2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide has a molecular weight of 379.41 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[3-(2-methylprop-1-enyl)-5-phenylpyrazin-2-yl]acetamide is sourced from PubChem (CID 70830301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).