3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

C26H19F2N3O2 — CID 45166729

IUPAC3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESO=C(NCC1Cc2cc(F)cc(-c3cnccn3)c2O1)c1cccc(-c2ccccc2F)c1
InChIInChI=1S/C26H19F2N3O2/c27-19-11-18-12-20(33-25(18)22(13-19)24-15-29-8-9-30-24)14-31-26(32)17-5-3-4-16(10-17)21-6-1-2-7-23(21)28/h1-11,13,15,20H,12,14H2,(H,31,32)
InChIKeyXCDRQFWAOQFUJO-UHFFFAOYSA-N
MW443.45 g/mol
LogP4.82
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide

3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (PubChem CID 45166729) has the molecular formula C26H19F2N3O2 and a molecular weight of 443.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
PubChem CID45166729
Molecular FormulaC26H19F2N3O2
Molecular Weight443.45 g/mol
Exact Mass443.14
IUPAC Name3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESO=C(NCC1Cc2cc(F)cc(-c3cnccn3)c2O1)c1cccc(-c2ccccc2F)c1
InChIInChI=1S/C26H19F2N3O2/c27-19-11-18-12-20(33-25(18)22(13-19)24-15-29-8-9-30-24)14-31-26(32)17-5-3-4-16(10-17)21-6-1-2-7-23(21)28/h1-11,13,15,20H,12,14H2,(H,31,32)
InChIKeyXCDRQFWAOQFUJO-UHFFFAOYSA-N
XLogP4.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (CID 45166729) is 3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is O=C(NCC1Cc2cc(F)cc(-c3cnccn3)c2O1)c1cccc(-c2ccccc2F)c1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The InChIKey is XCDRQFWAOQFUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O2/c27-19-11-18-12-20(33-25(18)22(13-19)24-15-29-8-9-30-24)14-31-26(32)17-5-3-4-16(10-17)21-6-1-2-7-23(21)28/h1-11,13,15,20H,12,14H2,(H,31,32).
What are the key properties of 3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide has a molecular weight of 443.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is sourced from PubChem (CID 45166729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).