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

C13H10N2O5 — CID 17146683

IUPACN-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H10N2O5/c1-8(16)9-4-2-3-5-10(9)14-13(17)11-6-7-12(20-11)15(18)19/h2-7H,1H3,(H,14,17)
InChIKeyQPKZSQIEXAVAHK-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.64
Rot. Bonds4

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

N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 17146683) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID17146683
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC NameN-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H10N2O5/c1-8(16)9-4-2-3-5-10(9)14-13(17)11-6-7-12(20-11)15(18)19/h2-7H,1H3,(H,14,17)
InChIKeyQPKZSQIEXAVAHK-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'}

Analyze N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-[2-(methylaminomethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 43600991
[2-(2-acetylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2619832
N-[2-[[4-(diethylamino)phenyl]carbamoyl]phenyl]-5-nitrofuran-2-carboxamide
CID 30898789
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 51148461
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
CID 23829547
N-[2-(1-chloroethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 114304944
5-nitro-N-(2-sulfamoylphenyl)furan-2-carboxamide
CID 61128250
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide (CID 17146683) is N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide is CC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is QPKZSQIEXAVAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-8(16)9-4-2-3-5-10(9)14-13(17)11-6-7-12(20-11)15(18)19/h2-7H,1H3,(H,14,17).
What are the key properties of N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide?
N-(2-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-(2-acetylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 17146683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).