4,5-dibromo-N-methylfuran-2-carboxamide

C6H5Br2NO2 — CID 146434116

IUPAC4,5-dibromo-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1cc(Br)c(Br)o1
InChIInChI=1S/C6H5Br2NO2/c1-9-6(10)4-2-3(7)5(8)11-4/h2H,1H3,(H,9,10)
InChIKeyKMOMWXBDYWXJSV-UHFFFAOYSA-N
MW282.92 g/mol
LogP2.16
Rot. Bonds1

About 4,5-dibromo-N-methylfuran-2-carboxamide

4,5-dibromo-N-methylfuran-2-carboxamide (PubChem CID 146434116) has the molecular formula C6H5Br2NO2 and a molecular weight of 282.92 g/mol. Its IUPAC name is 4,5-dibromo-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-methylfuran-2-carboxamide
PubChem CID146434116
Molecular FormulaC6H5Br2NO2
Molecular Weight282.92 g/mol
Exact Mass280.87
IUPAC Name4,5-dibromo-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1cc(Br)c(Br)o1
InChIInChI=1S/C6H5Br2NO2/c1-9-6(10)4-2-3(7)5(8)11-4/h2H,1H3,(H,9,10)
InChIKeyKMOMWXBDYWXJSV-UHFFFAOYSA-N
XLogP2.16
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.92
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-methylfuran-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-methylfuran-2-carboxamide (CID 146434116) is 4,5-dibromo-N-methylfuran-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-methylfuran-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-methylfuran-2-carboxamide is CNC(=O)c1cc(Br)c(Br)o1.
What is the InChIKey of 4,5-dibromo-N-methylfuran-2-carboxamide?
The InChIKey is KMOMWXBDYWXJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2NO2/c1-9-6(10)4-2-3(7)5(8)11-4/h2H,1H3,(H,9,10).
What are the key properties of 4,5-dibromo-N-methylfuran-2-carboxamide?
4,5-dibromo-N-methylfuran-2-carboxamide has a molecular weight of 282.92 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-methylfuran-2-carboxamide is sourced from PubChem (CID 146434116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).