2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide

C19H11Cl2F2N3O2 — CID 58486730

IUPAC2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)C3)cn1)c1ccccc1Cl
InChIInChI=1S/C19H11Cl2F2N3O2/c20-13-4-2-1-3-11(13)18(27)26-17-9-24-15(8-25-17)12-5-10-7-19(22,23)28-16(10)6-14(12)21/h1-6,8-9H,7H2,(H,25,26,27)
InChIKeyZIMXGBZOGBPUJW-UHFFFAOYSA-N
MW422.22 g/mol
LogP5.23
Rot. Bonds3

About 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide

2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide (PubChem CID 58486730) has the molecular formula C19H11Cl2F2N3O2 and a molecular weight of 422.22 g/mol. Its IUPAC name is 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
PubChem CID58486730
Molecular FormulaC19H11Cl2F2N3O2
Molecular Weight422.22 g/mol
Exact Mass421.02
IUPAC Name2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)C3)cn1)c1ccccc1Cl
InChIInChI=1S/C19H11Cl2F2N3O2/c20-13-4-2-1-3-11(13)18(27)26-17-9-24-15(8-25-17)12-5-10-7-19(22,23)28-16(10)6-14(12)21/h1-6,8-9H,7H2,(H,25,26,27)
InChIKeyZIMXGBZOGBPUJW-UHFFFAOYSA-N
XLogP5.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.22
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide (CID 58486730) is 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide is O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)C3)cn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide?
The InChIKey is ZIMXGBZOGBPUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F2N3O2/c20-13-4-2-1-3-11(13)18(27)26-17-9-24-15(8-25-17)12-5-10-7-19(22,23)28-16(10)6-14(12)21/h1-6,8-9H,7H2,(H,25,26,27).
What are the key properties of 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide?
2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide has a molecular weight of 422.22 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 58486730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).