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

C20H14ClF2N3O2 — CID 126462693

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

N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide (PubChem CID 126462693) has the molecular formula C20H14ClF2N3O2 and a molecular weight of 401.80 g/mol. Its IUPAC name is N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide.

Molecular Properties

• Compound Name: N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide
• PubChem CID: 126462693
• Molecular Formula: C20H14ClF2N3O2
• Molecular Weight: 401.80 g/mol
• Exact Mass: 401.07
• IUPAC Name: N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide
• SMILES: O=C(NCC1Cc2cc(Cl)cc(-c3cnccn3)c2O1)c1cccc(F)c1F
• InChI: InChI=1S/C20H14ClF2N3O2/c21-12-6-11-7-13(9-26-20(27)14-2-1-3-16(22)18(14)23)28-19(11)15(8-12)17-10-24-4-5-25-17/h1-6,8,10,13H,7,9H2,(H,26,27)
• InChIKey: TZJWBVHGPXXBCT-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.80
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide?

The IUPAC name of N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide (CID 126462693) is N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide.

What is the SMILES notation for N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide?

The canonical SMILES for N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide is O=C(NCC1Cc2cc(Cl)cc(-c3cnccn3)c2O1)c1cccc(F)c1F.

What is the InChIKey of N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide?

The InChIKey is TZJWBVHGPXXBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3O2/c21-12-6-11-7-13(9-26-20(27)14-2-1-3-16(22)18(14)23)28-19(11)15(8-12)17-10-24-4-5-25-17/h1-6,8,10,13H,7,9H2,(H,26,27).

What are the key properties of N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide?

N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide has a molecular weight of 401.80 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-difluorobenzamide is sourced from PubChem (CID 126462693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).