2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide

C20H15F2N3O3 — CID 58487017

IUPAC2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCCO2
InChIInChI=1S/C20H15F2N3O3/c1-11-7-16-17(28-6-5-27-16)8-12(11)15-9-24-18(10-23-15)25-20(26)19-13(21)3-2-4-14(19)22/h2-4,7-10H,5-6H2,1H3,(H,24,25,26)
InChIKeyDLOZKXIZSBFEDG-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.75
Rot. Bonds3

About 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide

2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide (PubChem CID 58487017) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide
PubChem CID58487017
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC Name2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCCO2
InChIInChI=1S/C20H15F2N3O3/c1-11-7-16-17(28-6-5-27-16)8-12(11)15-9-24-18(10-23-15)25-20(26)19-13(21)3-2-4-14(19)22/h2-4,7-10H,5-6H2,1H3,(H,24,25,26)
InChIKeyDLOZKXIZSBFEDG-UHFFFAOYSA-N
XLogP3.75
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide (CID 58487017) is 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide is Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)OCCO2.
What is the InChIKey of 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide?
The InChIKey is DLOZKXIZSBFEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c1-11-7-16-17(28-6-5-27-16)8-12(11)15-9-24-18(10-23-15)25-20(26)19-13(21)3-2-4-14(19)22/h2-4,7-10H,5-6H2,1H3,(H,24,25,26).
What are the key properties of 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide?
2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide has a molecular weight of 383.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 58487017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).