3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide

C16H13Br2NO4 — CID 17111500

IUPAC3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13Br2NO4/c1-21-15-11(6-9(17)7-12(15)18)16(20)19-10-2-3-13-14(8-10)23-5-4-22-13/h2-3,6-8H,4-5H2,1H3,(H,19,20)
InChIKeyDKQALELLGBCGEK-UHFFFAOYSA-N
MW443.09 g/mol
LogP4.24
Rot. Bonds3

About 3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide

3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide (PubChem CID 17111500) has the molecular formula C16H13Br2NO4 and a molecular weight of 443.09 g/mol. Its IUPAC name is 3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide
PubChem CID17111500
Molecular FormulaC16H13Br2NO4
Molecular Weight443.09 g/mol
Exact Mass440.92
IUPAC Name3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide
SMILESCOc1c(Br)cc(Br)cc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13Br2NO4/c1-21-15-11(6-9(17)7-12(15)18)16(20)19-10-2-3-13-14(8-10)23-5-4-22-13/h2-3,6-8H,4-5H2,1H3,(H,19,20)
InChIKeyDKQALELLGBCGEK-UHFFFAOYSA-N
XLogP4.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.09
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
CID 2996052
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-(1,3-benzodioxol-5-yl)-4-bromo-2-methoxybenzamide
CID 78987803
3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide
CID 26019445
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 47220492
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitrobenzamide
CID 1370156
3-amino-4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 61095483
3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 3452845
3,5-dibromo-2-methoxy-N-(2-methoxyphenyl)benzamide
CID 3948715
3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide
CID 40864687

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide (CID 17111500) is 3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide is COc1c(Br)cc(Br)cc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide?
The InChIKey is DKQALELLGBCGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2NO4/c1-21-15-11(6-9(17)7-12(15)18)16(20)19-10-2-3-13-14(8-10)23-5-4-22-13/h2-3,6-8H,4-5H2,1H3,(H,19,20).
What are the key properties of 3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide?
3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide has a molecular weight of 443.09 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide is sourced from PubChem (CID 17111500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).