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

C11H7IN2O4 — CID 3269060

IUPACN-(2-iodophenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccccc1I)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H7IN2O4/c12-7-3-1-2-4-8(7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)
InChIKeyOBSMOERJRUOCCY-UHFFFAOYSA-N
MW358.09 g/mol
LogP3.04
Rot. Bonds3

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

N-(2-iodophenyl)-5-nitrofuran-2-carboxamide (PubChem CID 3269060) has the molecular formula C11H7IN2O4 and a molecular weight of 358.09 g/mol. Its IUPAC name is N-(2-iodophenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-5-nitrofuran-2-carboxamide
PubChem CID3269060
Molecular FormulaC11H7IN2O4
Molecular Weight358.09 g/mol
Exact Mass357.95
IUPAC NameN-(2-iodophenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccccc1I)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H7IN2O4/c12-7-3-1-2-4-8(7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)
InChIKeyOBSMOERJRUOCCY-UHFFFAOYSA-N
XLogP3.04
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.09
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-iodophenyl)-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-phenylphenyl)furan-2-carboxamide
CID 23829547
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
5-nitro-N-(2-sulfamoylphenyl)furan-2-carboxamide
CID 61128250
N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113257818
N-[2-(methylaminomethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 43600991
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
N-[2-(1-chloroethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 114304944
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 103479831
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
N-(3-bromo-4-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113230544

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-iodophenyl)-5-nitrofuran-2-carboxamide (CID 3269060) is N-(2-iodophenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-5-nitrofuran-2-carboxamide is O=C(Nc1ccccc1I)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(2-iodophenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is OBSMOERJRUOCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IN2O4/c12-7-3-1-2-4-8(7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15).
What are the key properties of N-(2-iodophenyl)-5-nitrofuran-2-carboxamide?
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 358.09 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 3269060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).