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

C20H15ClFN3O2 — CID 45165919

IUPAC3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESO=C(NCC1Cc2cc(F)cc(-c3cnccn3)c2O1)c1cccc(Cl)c1
InChIInChI=1S/C20H15ClFN3O2/c21-14-3-1-2-12(6-14)20(26)25-10-16-8-13-7-15(22)9-17(19(13)27-16)18-11-23-4-5-24-18/h1-7,9,11,16H,8,10H2,(H,25,26)
InChIKeyIHGNMKPGJKAAEG-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.67
Rot. Bonds4

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

3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (PubChem CID 45165919) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is 3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
PubChem CID45165919
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
SMILESO=C(NCC1Cc2cc(F)cc(-c3cnccn3)c2O1)c1cccc(Cl)c1
InChIInChI=1S/C20H15ClFN3O2/c21-14-3-1-2-12(6-14)20(26)25-10-16-8-13-7-15(22)9-17(19(13)27-16)18-11-23-4-5-24-18/h1-7,9,11,16H,8,10H2,(H,25,26)
InChIKeyIHGNMKPGJKAAEG-UHFFFAOYSA-N
XLogP3.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (CID 45165919) is 3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-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(Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
The InChIKey is IHGNMKPGJKAAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c21-14-3-1-2-12(6-14)20(26)25-10-16-8-13-7-15(22)9-17(19(13)27-16)18-11-23-4-5-24-18/h1-7,9,11,16H,8,10H2,(H,25,26).
What are the key properties of 3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide?
3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide has a molecular weight of 383.81 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is sourced from PubChem (CID 45165919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).