3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide

C13H9Br2NO3S — CID 47233334

IUPAC3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cc2c(cc1Br)OCCO2)c1sccc1Br
InChIInChI=1S/C13H9Br2NO3S/c14-7-1-4-20-12(7)13(17)16-9-6-11-10(5-8(9)15)18-2-3-19-11/h1,4-6H,2-3H2,(H,16,17)
InChIKeyFJCJXPIUMJDJDS-UHFFFAOYSA-N
MW419.09 g/mol
LogP4.30
Rot. Bonds2

About 3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide

3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide (PubChem CID 47233334) has the molecular formula C13H9Br2NO3S and a molecular weight of 419.09 g/mol. Its IUPAC name is 3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
PubChem CID47233334
Molecular FormulaC13H9Br2NO3S
Molecular Weight419.09 g/mol
Exact Mass416.87
IUPAC Name3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cc2c(cc1Br)OCCO2)c1sccc1Br
InChIInChI=1S/C13H9Br2NO3S/c14-7-1-4-20-12(7)13(17)16-9-6-11-10(5-8(9)15)18-2-3-19-11/h1,4-6H,2-3H2,(H,16,17)
InChIKeyFJCJXPIUMJDJDS-UHFFFAOYSA-N
XLogP4.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.09
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 47220492
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 104723934
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18081378
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27675116
3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 47231630
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)naphthalene-1-carboxamide
CID 26903005
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17499645
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide
CID 61292718
N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide
CID 63804092
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
CID 107903641
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide
CID 26902972

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide (CID 47233334) is 3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide is O=C(Nc1cc2c(cc1Br)OCCO2)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide?
The InChIKey is FJCJXPIUMJDJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO3S/c14-7-1-4-20-12(7)13(17)16-9-6-11-10(5-8(9)15)18-2-3-19-11/h1,4-6H,2-3H2,(H,16,17).
What are the key properties of 3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide?
3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide has a molecular weight of 419.09 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide is sourced from PubChem (CID 47233334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).