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

C13H7BrN2O4 — CID 2232064

IUPAC5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(Br)o1
InChIInChI=1S/C13H7BrN2O4/c14-10-4-3-9(20-10)13(19)15-6-1-2-7-8(5-6)12(18)16-11(7)17/h1-5H,(H,15,19)(H,16,17,18)
InChIKeyWGWDXRVJHOJYIL-UHFFFAOYSA-N
MW335.11 g/mol
LogP2.18
Rot. Bonds2

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

5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide (PubChem CID 2232064) has the molecular formula C13H7BrN2O4 and a molecular weight of 335.11 g/mol. Its IUPAC name is 5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide
PubChem CID2232064
Molecular FormulaC13H7BrN2O4
Molecular Weight335.11 g/mol
Exact Mass333.96
IUPAC Name5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(Br)o1
InChIInChI=1S/C13H7BrN2O4/c14-10-4-3-9(20-10)13(19)15-6-1-2-7-8(5-6)12(18)16-11(7)17/h1-5H,(H,15,19)(H,16,17,18)
InChIKeyWGWDXRVJHOJYIL-UHFFFAOYSA-N
XLogP2.18
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.11
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide
CID 90524797
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16880187
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110667010
5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
CID 64781074
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide
CID 34441377
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389
1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912857

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide (CID 2232064) is 5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
The InChIKey is WGWDXRVJHOJYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN2O4/c14-10-4-3-9(20-10)13(19)15-6-1-2-7-8(5-6)12(18)16-11(7)17/h1-5H,(H,15,19)(H,16,17,18).
What are the key properties of 5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide has a molecular weight of 335.11 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 2232064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).