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

C20H14ClF2N3O2 — CID 58486903

IUPAC2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)CC(F)(F)O2
InChIInChI=1S/C20H14ClF2N3O2/c1-11-6-17-12(8-20(22,23)28-17)7-14(11)16-9-25-18(10-24-16)26-19(27)13-4-2-3-5-15(13)21/h2-7,9-10H,8H2,1H3,(H,25,26,27)
InChIKeyGIGPPYNGZJJMNQ-UHFFFAOYSA-N
MW401.80 g/mol
LogP4.89
Rot. Bonds3

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

2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide (PubChem CID 58486903) has the molecular formula C20H14ClF2N3O2 and a molecular weight of 401.80 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
PubChem CID58486903
Molecular FormulaC20H14ClF2N3O2
Molecular Weight401.80 g/mol
Exact Mass401.07
IUPAC Name2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)CC(F)(F)O2
InChIInChI=1S/C20H14ClF2N3O2/c1-11-6-17-12(8-20(22,23)28-17)7-14(11)16-9-25-18(10-24-16)26-19(27)13-4-2-3-5-15(13)21/h2-7,9-10H,8H2,1H3,(H,25,26,27)
InChIKeyGIGPPYNGZJJMNQ-UHFFFAOYSA-N
XLogP4.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 54.89
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-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide (CID 58486903) is 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide is Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3Cl)cn1)CC(F)(F)O2.
What is the InChIKey of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide?
The InChIKey is GIGPPYNGZJJMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3O2/c1-11-6-17-12(8-20(22,23)28-17)7-14(11)16-9-25-18(10-24-16)26-19(27)13-4-2-3-5-15(13)21/h2-7,9-10H,8H2,1H3,(H,25,26,27).
What are the key properties of 2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide?
2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide has a molecular weight of 401.80 g/mol, XLogP of 4.89, 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-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 58486903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).