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

C13H11N3O5 — CID 3858737

IUPACN-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C13H11N3O5/c1-8(17)14-9-2-4-10(5-3-9)15-13(18)11-6-7-12(21-11)16(19)20/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKeyNJZWHPATRMRQTH-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.40
Rot. Bonds4

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

N-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide (PubChem CID 3858737) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide
PubChem CID3858737
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC NameN-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C13H11N3O5/c1-8(17)14-9-2-4-10(5-3-9)15-13(18)11-6-7-12(21-11)16(19)20/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKeyNJZWHPATRMRQTH-UHFFFAOYSA-N
XLogP2.40
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide (CID 3858737) is N-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is NJZWHPATRMRQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c1-8(17)14-9-2-4-10(5-3-9)15-13(18)11-6-7-12(21-11)16(19)20/h2-7H,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide?
N-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 289.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 3858737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).