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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Related Compounds

{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-(5-trifluoromethyl-pyridin-2-yl)-amine
CID 11574624
3-methyl-N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 21211963
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
CID 23657990
(E)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)acrylamide
CID 24891660
N-[3-(3-acetylphenyl)-6-[2-methoxy-phenyl)imidazo [1,2-a]pyridin-8-yl]acetamide
CID 49789743
4-[5-[[3-(fluoromethyl)-1-benzofuran-2-carbonyl]amino]-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917492
N-(2-fluorophenyl)-4-[5-[(3-methyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 52917631
4-[5-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917633
4-[5-[[3-(difluoromethyl)-1-benzofuran-2-carbonyl]amino]pyridin-2-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 67035798
5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide
CID 118372967
(E)-3-[(2R,3S)-3-amino-2-methyl-4-oxo-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-8-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 156500209
N-(6-acetamido-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 71570045

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).