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

C13H9BrClNO3S — CID 39821287

IUPAC5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1csc(Br)c1
InChIInChI=1S/C13H9BrClNO3S/c14-12-3-7(6-20-12)13(17)16-9-5-11-10(4-8(9)15)18-1-2-19-11/h3-6H,1-2H2,(H,16,17)
InChIKeyJXGTZQXZPJMETH-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.19
Rot. Bonds2

About 5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide

5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide (PubChem CID 39821287) has the molecular formula C13H9BrClNO3S and a molecular weight of 374.64 g/mol. Its IUPAC name is 5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide
PubChem CID39821287
Molecular FormulaC13H9BrClNO3S
Molecular Weight374.64 g/mol
Exact Mass372.92
IUPAC Name5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1csc(Br)c1
InChIInChI=1S/C13H9BrClNO3S/c14-12-3-7(6-20-12)13(17)16-9-5-11-10(4-8(9)15)18-1-2-19-11/h3-6H,1-2H2,(H,16,17)
InChIKeyJXGTZQXZPJMETH-UHFFFAOYSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide
CID 24556549
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-iodobenzamide
CID 34271644
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide
CID 39820893
5-bromo-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)thiophene-2-carboxamide
CID 34272817
N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide
CID 107959269
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)thiophene-2-carboxamide
CID 17400862
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylsulfinylbenzamide
CID 51278846
N-(6-chloro-1,3-benzodioxol-5-yl)-4-iodobenzamide
CID 39728188
N-[4-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 46461915
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide
CID 46443447
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)adamantane-1-carboxamide
CID 39820071

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide (CID 39821287) is 5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide is O=C(Nc1cc2c(cc1Cl)OCCO2)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide?
The InChIKey is JXGTZQXZPJMETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO3S/c14-12-3-7(6-20-12)13(17)16-9-5-11-10(4-8(9)15)18-1-2-19-11/h3-6H,1-2H2,(H,16,17).
What are the key properties of 5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide?
5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide has a molecular weight of 374.64 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide is sourced from PubChem (CID 39821287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).