N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide

C13H12N2O5 — CID 754778

IUPACN-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C13H12N2O5/c1-2-19-10-5-3-9(4-6-10)14-13(16)11-7-8-12(20-11)15(17)18/h3-8H,2H2,1H3,(H,14,16)
InChIKeyHXIQLZLEGRQPGU-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.84
Rot. Bonds5

About N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide

N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 754778) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide
PubChem CID754778
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC NameN-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C13H12N2O5/c1-2-19-10-5-3-9(4-6-10)14-13(16)11-7-8-12(20-11)15(17)18/h3-8H,2H2,1H3,(H,14,16)
InChIKeyHXIQLZLEGRQPGU-UHFFFAOYSA-N
XLogP2.84
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide (CID 754778) is N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide is CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is HXIQLZLEGRQPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-2-19-10-5-3-9(4-6-10)14-13(16)11-7-8-12(20-11)15(17)18/h3-8H,2H2,1H3,(H,14,16).
What are the key properties of N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide?
N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 276.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 754778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).