N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide

C13H12N2O4 — CID 757048

IUPACN-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H12N2O4/c1-8-5-9(2)7-10(6-8)14-13(16)11-3-4-12(19-11)15(17)18/h3-7H,1-2H3,(H,14,16)
InChIKeyGFJDXNWQDZTNLU-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.06
Rot. Bonds3

About N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide

N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 757048) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID757048
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC NameN-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H12N2O4/c1-8-5-9(2)7-10(6-8)14-13(16)11-3-4-12(19-11)15(17)18/h3-7H,1-2H3,(H,14,16)
InChIKeyGFJDXNWQDZTNLU-UHFFFAOYSA-N
XLogP3.06
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethylphenyl)-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

5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-(3-bromo-4-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113230544
N-(3,4-difluorophenyl)-5-nitrofuran-2-carboxamide
CID 5153997
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide
CID 878122
5-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]furan-2-carboxamide
CID 26713870
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-nitrofuran-2-carboxamide
CID 24692016
N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 33098918
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide (CID 757048) is N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is GFJDXNWQDZTNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-5-9(2)7-10(6-8)14-13(16)11-3-4-12(19-11)15(17)18/h3-7H,1-2H3,(H,14,16).
What are the key properties of N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide?
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 757048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).