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

C21H16F2N2O3 — CID 58487156

IUPAC2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCCO2
InChIInChI=1S/C21H16F2N2O3/c1-12-9-17-18(28-8-7-27-17)10-14(12)13-5-6-19(24-11-13)25-21(26)20-15(22)3-2-4-16(20)23/h2-6,9-11H,7-8H2,1H3,(H,24,25,26)
InChIKeyZJSYZHHFDDNWRC-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.36
Rot. Bonds3

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

2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide (PubChem CID 58487156) has the molecular formula C21H16F2N2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
PubChem CID58487156
Molecular FormulaC21H16F2N2O3
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC Name2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCCO2
InChIInChI=1S/C21H16F2N2O3/c1-12-9-17-18(28-8-7-27-17)10-14(12)13-5-6-19(24-11-13)25-21(26)20-15(22)3-2-4-16(20)23/h2-6,9-11H,7-8H2,1H3,(H,24,25,26)
InChIKeyZJSYZHHFDDNWRC-UHFFFAOYSA-N
XLogP4.36
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide (CID 58487156) is 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)OCCO2.
What is the InChIKey of 2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide?
The InChIKey is ZJSYZHHFDDNWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3/c1-12-9-17-18(28-8-7-27-17)10-14(12)13-5-6-19(24-11-13)25-21(26)20-15(22)3-2-4-16(20)23/h2-6,9-11H,7-8H2,1H3,(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)-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide has a molecular weight of 382.37 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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)-2-pyridinyl]benzamide is sourced from PubChem (CID 58487156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).