5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide

C14H9BrN2O4 — CID 833876

IUPAC5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2C1=O
InChIInChI=1S/C14H9BrN2O4/c1-17-13(19)8-3-2-7(6-9(8)14(17)20)16-12(18)10-4-5-11(15)21-10/h2-6H,1H3,(H,16,18)
InChIKeyWBNGEEMZIGTEOB-UHFFFAOYSA-N
MW349.14 g/mol
LogP2.52
Rot. Bonds2

About 5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide

5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide (PubChem CID 833876) has the molecular formula C14H9BrN2O4 and a molecular weight of 349.14 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide
PubChem CID833876
Molecular FormulaC14H9BrN2O4
Molecular Weight349.14 g/mol
Exact Mass347.97
IUPAC Name5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2C1=O
InChIInChI=1S/C14H9BrN2O4/c1-17-13(19)8-3-2-7(6-9(8)14(17)20)16-12(18)10-4-5-11(15)21-10/h2-6H,1H3,(H,16,18)
InChIKeyWBNGEEMZIGTEOB-UHFFFAOYSA-N
XLogP2.52
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide (CID 833876) is 5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide is CN1C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2C1=O.
What is the InChIKey of 5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
The InChIKey is WBNGEEMZIGTEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O4/c1-17-13(19)8-3-2-7(6-9(8)14(17)20)16-12(18)10-4-5-11(15)21-10/h2-6H,1H3,(H,16,18).
What are the key properties of 5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
5-bromo-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide has a molecular weight of 349.14 g/mol, XLogP of 2.52, 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-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 833876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).