2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide

C21H14F3N3O2 — CID 58486684

IUPAC2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1
InChIInChI=1S/C21H14F3N3O2/c1-12-6-2-3-7-13(12)20(28)27-17-11-25-15(10-26-17)18-14-8-4-5-9-16(14)29-19(18)21(22,23)24/h2-11H,1H3,(H,26,27,28)
InChIKeyUCSNGIKCNRMPLO-UHFFFAOYSA-N
MW397.36 g/mol
LogP5.47
Rot. Bonds3

About 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide

2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide (PubChem CID 58486684) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide
PubChem CID58486684
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC Name2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1
InChIInChI=1S/C21H14F3N3O2/c1-12-6-2-3-7-13(12)20(28)27-17-11-25-15(10-26-17)18-14-8-4-5-9-16(14)29-19(18)21(22,23)24/h2-11H,1H3,(H,26,27,28)
InChIKeyUCSNGIKCNRMPLO-UHFFFAOYSA-N
XLogP5.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.36
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide (CID 58486684) is 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide is Cc1ccccc1C(=O)Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1.
What is the InChIKey of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is UCSNGIKCNRMPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c1-12-6-2-3-7-13(12)20(28)27-17-11-25-15(10-26-17)18-14-8-4-5-9-16(14)29-19(18)21(22,23)24/h2-11H,1H3,(H,26,27,28).
What are the key properties of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 397.36 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 58486684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).