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

C11H11Br2NO3 — CID 107903641

IUPAC2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
SMILESCC(Br)C(=O)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C11H11Br2NO3/c1-6(12)11(15)14-8-5-10-9(4-7(8)13)16-2-3-17-10/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeyHOSCJRREESCRII-UHFFFAOYSA-N
MW365.02 g/mol
LogP2.94
Rot. Bonds2

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

2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide (PubChem CID 107903641) has the molecular formula C11H11Br2NO3 and a molecular weight of 365.02 g/mol. Its IUPAC name is 2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
PubChem CID107903641
Molecular FormulaC11H11Br2NO3
Molecular Weight365.02 g/mol
Exact Mass362.91
IUPAC Name2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
SMILESCC(Br)C(=O)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C11H11Br2NO3/c1-6(12)11(15)14-8-5-10-9(4-7(8)13)16-2-3-17-10/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeyHOSCJRREESCRII-UHFFFAOYSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.02
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutanamide
CID 43702346
(2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide
CID 104902736
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)butanamide
CID 43702364
(2S)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpentanamide
CID 61172298
(2R)-2-bromo-N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
CID 41285134
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-pentan-2-ylurea
CID 47132810
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide
CID 2567069
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-hydroxypentanamide
CID 79200507
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
CID 60852954
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-cyclopropylurea
CID 47198970
N-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 43011577
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 55695702

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide?
The IUPAC name of 2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide (CID 107903641) is 2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide.
What is the SMILES notation for 2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide?
The canonical SMILES for 2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide is CC(Br)C(=O)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of 2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide?
The InChIKey is HOSCJRREESCRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO3/c1-6(12)11(15)14-8-5-10-9(4-7(8)13)16-2-3-17-10/h4-6H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide?
2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide has a molecular weight of 365.02 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide is sourced from PubChem (CID 107903641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).