N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane

C15H21Br2NO2 — CID 144855943

IUPACN-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane
SMILESCC(=O)Nc1c(Br)cc(Br)c2c1CCO2.CCCCC
InChIInChI=1S/C10H9Br2NO2.C5H12/c1-5(14)13-9-6-2-3-15-10(6)8(12)4-7(9)11;1-3-5-4-2/h4H,2-3H2,1H3,(H,13,14);3-5H2,1-2H3
InChIKeyOCLVBAHYLLELSE-UHFFFAOYSA-N
MW407.15 g/mol
LogP5.30
Rot. Bonds3

About N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane

N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane (PubChem CID 144855943) has the molecular formula C15H21Br2NO2 and a molecular weight of 407.15 g/mol. Its IUPAC name is N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane.

Molecular Properties

Compound NameN-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane
PubChem CID144855943
Molecular FormulaC15H21Br2NO2
Molecular Weight407.15 g/mol
Exact Mass404.99
IUPAC NameN-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane
SMILESCC(=O)Nc1c(Br)cc(Br)c2c1CCO2.CCCCC
InChIInChI=1S/C10H9Br2NO2.C5H12/c1-5(14)13-9-6-2-3-15-10(6)8(12)4-7(9)11;1-3-5-4-2/h4H,2-3H2,1H3,(H,13,14);3-5H2,1-2H3
InChIKeyOCLVBAHYLLELSE-UHFFFAOYSA-N
XLogP5.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.15
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane?
The IUPAC name of N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane (CID 144855943) is N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane.
What is the SMILES notation for N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane?
The canonical SMILES for N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane is CC(=O)Nc1c(Br)cc(Br)c2c1CCO2.CCCCC.
What is the InChIKey of N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane?
The InChIKey is OCLVBAHYLLELSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO2.C5H12/c1-5(14)13-9-6-2-3-15-10(6)8(12)4-7(9)11;1-3-5-4-2/h4H,2-3H2,1H3,(H,13,14);3-5H2,1-2H3.
What are the key properties of N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane?
N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane has a molecular weight of 407.15 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane is sourced from PubChem (CID 144855943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).