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

C20H16FN3O3 — CID 58486961

IUPAC2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3F)cn1)OCCO2
InChIInChI=1S/C20H16FN3O3/c1-12-8-17-18(27-7-6-26-17)9-14(12)16-10-23-19(11-22-16)24-20(25)13-4-2-3-5-15(13)21/h2-5,8-11H,6-7H2,1H3,(H,23,24,25)
InChIKeyKUJHSATZJKNJBP-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.61
Rot. Bonds3

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

2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide (PubChem CID 58486961) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide
PubChem CID58486961
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3F)cn1)OCCO2
InChIInChI=1S/C20H16FN3O3/c1-12-8-17-18(27-7-6-26-17)9-14(12)16-10-23-19(11-22-16)24-20(25)13-4-2-3-5-15(13)21/h2-5,8-11H,6-7H2,1H3,(H,23,24,25)
InChIKeyKUJHSATZJKNJBP-UHFFFAOYSA-N
XLogP3.61
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide (CID 58486961) is 2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide is Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3F)cn1)OCCO2.
What is the InChIKey of 2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide?
The InChIKey is KUJHSATZJKNJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-12-8-17-18(27-7-6-26-17)9-14(12)16-10-23-19(11-22-16)24-20(25)13-4-2-3-5-15(13)21/h2-5,8-11H,6-7H2,1H3,(H,23,24,25).
What are the key properties of 2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide?
2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide has a molecular weight of 365.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 58486961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).