N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide

C13H10N2O5 — CID 823973

IUPACN-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H10N2O5/c1-8(16)9-3-2-4-10(7-9)14-13(17)11-5-6-12(20-11)15(18)19/h2-7H,1H3,(H,14,17)
InChIKeyHLWKJGWXIYKIAH-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.64
Rot. Bonds4

About N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide

N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 823973) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID823973
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC NameN-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H10N2O5/c1-8(16)9-3-2-4-10(7-9)14-13(17)11-5-6-12(20-11)15(18)19/h2-7H,1H3,(H,14,17)
InChIKeyHLWKJGWXIYKIAH-UHFFFAOYSA-N
XLogP2.64
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.64
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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Related Compounds

5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 35117079
N-[3-(diethylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 51148651
N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155681472
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155412684
N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 33098918
N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide
CID 3117355
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 8883872
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide (CID 823973) is N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is HLWKJGWXIYKIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-8(16)9-3-2-4-10(7-9)14-13(17)11-5-6-12(20-11)15(18)19/h2-7H,1H3,(H,14,17).
What are the key properties of N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide?
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 274.23 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 823973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).