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

C13H10BrNO4 — CID 660176

IUPAC5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)o1
InChIInChI=1S/C13H10BrNO4/c14-12-4-3-10(19-12)13(16)15-8-1-2-9-11(7-8)18-6-5-17-9/h1-4,7H,5-6H2,(H,15,16)
InChIKeyKEXHZSHOARSLNJ-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.07
Rot. Bonds2

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

5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide (PubChem CID 660176) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
PubChem CID660176
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)o1
InChIInChI=1S/C13H10BrNO4/c14-12-4-3-10(19-12)13(16)15-8-1-2-9-11(7-8)18-6-5-17-9/h1-4,7H,5-6H2,(H,15,16)
InChIKeyKEXHZSHOARSLNJ-UHFFFAOYSA-N
XLogP3.07
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide (CID 660176) is 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The InChIKey is KEXHZSHOARSLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c14-12-4-3-10(19-12)13(16)15-8-1-2-9-11(7-8)18-6-5-17-9/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide has a molecular weight of 324.13 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 660176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).