4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

C15H12BrNO3 — CID 732526

IUPAC4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO3/c16-11-3-1-10(2-4-11)15(18)17-12-5-6-13-14(9-12)20-8-7-19-13/h1-6,9H,7-8H2,(H,17,18)
InChIKeyWTWQIRJUIIBKBL-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.47
Rot. Bonds2

About 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 732526) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID732526
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC Name4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO3/c16-11-3-1-10(2-4-11)15(18)17-12-5-6-13-14(9-12)20-8-7-19-13/h1-6,9H,7-8H2,(H,17,18)
InChIKeyWTWQIRJUIIBKBL-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]benzamide
CID 2220429
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
3-amino-4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 61095483
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 103751678
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylsulfanylmethyl)benzamide
CID 18108018
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrol-1-ylbenzamide
CID 27649854
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
CID 107980044
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2162099
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043993
1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109048581

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 732526) is 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is WTWQIRJUIIBKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c16-11-3-1-10(2-4-11)15(18)17-12-5-6-13-14(9-12)20-8-7-19-13/h1-6,9H,7-8H2,(H,17,18).
What are the key properties of 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 334.17 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 732526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).