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

C17H14F3N3O2 — CID 58487117

IUPAC2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide
SMILESCC(C)C(=O)Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1
InChIInChI=1S/C17H14F3N3O2/c1-9(2)16(24)23-13-8-21-11(7-22-13)14-10-5-3-4-6-12(10)25-15(14)17(18,19)20/h3-9H,1-2H3,(H,22,23,24)
InChIKeyZRGRTEKFCDTOMJ-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.50
Rot. Bonds3

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

2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide (PubChem CID 58487117) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide
PubChem CID58487117
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide
SMILESCC(C)C(=O)Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1
InChIInChI=1S/C17H14F3N3O2/c1-9(2)16(24)23-13-8-21-11(7-22-13)14-10-5-3-4-6-12(10)25-15(14)17(18,19)20/h3-9H,1-2H3,(H,22,23,24)
InChIKeyZRGRTEKFCDTOMJ-UHFFFAOYSA-N
XLogP4.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.50
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]propanamide?
The IUPAC name of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide (CID 58487117) is 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide is CC(C)C(=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]propanamide?
The InChIKey is ZRGRTEKFCDTOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-9(2)16(24)23-13-8-21-11(7-22-13)14-10-5-3-4-6-12(10)25-15(14)17(18,19)20/h3-9H,1-2H3,(H,22,23,24).
What are the key properties of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide?
2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]propanamide has a molecular weight of 349.31 g/mol, XLogP of 4.50, 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]propanamide is sourced from PubChem (CID 58487117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).