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

C21H17ClFN3O2 — CID 45165502

IUPAC5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESCc1cc2c(c(-c3cnccn3)c1)OC(CNC(=O)c1cc(Cl)ccc1F)C2
InChIInChI=1S/C21H17ClFN3O2/c1-12-6-13-8-15(10-26-21(27)16-9-14(22)2-3-18(16)23)28-20(13)17(7-12)19-11-24-4-5-25-19/h2-7,9,11,15H,8,10H2,1H3,(H,26,27)
InChIKeyQFLJYWIQZSWVEJ-UHFFFAOYSA-N
MW397.84 g/mol
LogP3.98
Rot. Bonds4

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

5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (PubChem CID 45165502) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
PubChem CID45165502
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESCc1cc2c(c(-c3cnccn3)c1)OC(CNC(=O)c1cc(Cl)ccc1F)C2
InChIInChI=1S/C21H17ClFN3O2/c1-12-6-13-8-15(10-26-21(27)16-9-14(22)2-3-18(16)23)28-20(13)17(7-12)19-11-24-4-5-25-19/h2-7,9,11,15H,8,10H2,1H3,(H,26,27)
InChIKeyQFLJYWIQZSWVEJ-UHFFFAOYSA-N
XLogP3.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (CID 45165502) is 5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is Cc1cc2c(c(-c3cnccn3)c1)OC(CNC(=O)c1cc(Cl)ccc1F)C2.
What is the InChIKey of 5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The InChIKey is QFLJYWIQZSWVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c1-12-6-13-8-15(10-26-21(27)16-9-14(22)2-3-18(16)23)28-20(13)17(7-12)19-11-24-4-5-25-19/h2-7,9,11,15H,8,10H2,1H3,(H,26,27).
What are the key properties of 5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide has a molecular weight of 397.84 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is sourced from PubChem (CID 45165502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).