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

C10H10BrNO3 — CID 657866

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C10H10BrNO3/c1-6(13)12-8-5-10-9(4-7(8)11)14-2-3-15-10/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyZSJWOKQVYZTDOA-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.18
Rot. Bonds1

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

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (PubChem CID 657866) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
PubChem CID657866
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C10H10BrNO3/c1-6(13)12-8-5-10-9(4-7(8)11)14-2-3-15-10/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyZSJWOKQVYZTDOA-UHFFFAOYSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (CID 657866) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is CC(=O)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The InChIKey is ZSJWOKQVYZTDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-6(13)12-8-5-10-9(4-7(8)11)14-2-3-15-10/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide has a molecular weight of 272.10 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is sourced from PubChem (CID 657866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).