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

C20H11F4N3O2 — CID 58486636

IUPAC2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide
SMILESO=C(Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F
InChIInChI=1S/C20H11F4N3O2/c21-13-7-3-1-5-11(13)19(28)27-16-10-25-14(9-26-16)17-12-6-2-4-8-15(12)29-18(17)20(22,23)24/h1-10H,(H,26,27,28)
InChIKeyJRKMUNQWNJCJSU-UHFFFAOYSA-N
MW401.32 g/mol
LogP5.30
Rot. Bonds3

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

2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide (PubChem CID 58486636) has the molecular formula C20H11F4N3O2 and a molecular weight of 401.32 g/mol. Its IUPAC name is 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide
PubChem CID58486636
Molecular FormulaC20H11F4N3O2
Molecular Weight401.32 g/mol
Exact Mass401.08
IUPAC Name2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide
SMILESO=C(Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F
InChIInChI=1S/C20H11F4N3O2/c21-13-7-3-1-5-11(13)19(28)27-16-10-25-14(9-26-16)17-12-6-2-4-8-15(12)29-18(17)20(22,23)24/h1-10H,(H,26,27,28)
InChIKeyJRKMUNQWNJCJSU-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.32
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-(5-trifluoromethyl-pyridin-2-yl)-amine
CID 11574624
4-Fluoro-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl]benzamide
CID 16070216
(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
4-[5-(1-benzofuran-2-carbonylamino)-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917419
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
N-[5-[(E)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide
CID 118710289

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide (CID 58486636) is 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide is O=C(Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is JRKMUNQWNJCJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F4N3O2/c21-13-7-3-1-5-11(13)19(28)27-16-10-25-14(9-26-16)17-12-6-2-4-8-15(12)29-18(17)20(22,23)24/h1-10H,(H,26,27,28).
What are the key properties of 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 401.32 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 58486636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).