N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide

C13H11N3O4 — CID 3011950

IUPACN-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide
SMILESO=C(NC1NCc2ccccc21)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H11N3O4/c17-13(10-5-6-11(20-10)16(18)19)15-12-9-4-2-1-3-8(9)7-14-12/h1-6,12,14H,7H2,(H,15,17)
InChIKeyQSFYSPAJMQSNER-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.72
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide

N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide (PubChem CID 3011950) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide
PubChem CID3011950
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC NameN-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide
SMILESO=C(NC1NCc2ccccc21)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H11N3O4/c17-13(10-5-6-11(20-10)16(18)19)15-12-9-4-2-1-3-8(9)7-14-12/h1-6,12,14H,7H2,(H,15,17)
InChIKeyQSFYSPAJMQSNER-UHFFFAOYSA-N
XLogP1.72
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide
CID 114302230
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CID 43594400
N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride
CID 120600819
5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 62379342
5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide
CID 47079685
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
N-[(1R)-1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide
CID 7269076
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide
CID 120943472

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide (CID 3011950) is N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide is O=C(NC1NCc2ccccc21)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is QSFYSPAJMQSNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-13(10-5-6-11(20-10)16(18)19)15-12-9-4-2-1-3-8(9)7-14-12/h1-6,12,14H,7H2,(H,15,17).
What are the key properties of N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide?
N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 3011950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).