N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide

C13H12N2O5 — CID 2932859

IUPACN-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O5/c1-8-3-6-12(20-8)13(16)14-10-5-4-9(19-2)7-11(10)15(17)18/h3-7H,1-2H3,(H,14,16)
InChIKeyBRQZWMDULYZXCN-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.76
Rot. Bonds4

About N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide

N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide (PubChem CID 2932859) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide
PubChem CID2932859
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC NameN-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O5/c1-8-3-6-12(20-8)13(16)14-10-5-4-9(19-2)7-11(10)15(17)18/h3-7H,1-2H3,(H,14,16)
InChIKeyBRQZWMDULYZXCN-UHFFFAOYSA-N
XLogP2.76
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.76
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-(4-methoxy-2-nitrophenyl)-5-methylfuran-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

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide (CID 2932859) is N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide is COc1ccc(NC(=O)c2ccc(C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide?
The InChIKey is BRQZWMDULYZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-8-3-6-12(20-8)13(16)14-10-5-4-9(19-2)7-11(10)15(17)18/h3-7H,1-2H3,(H,14,16).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide?
N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide has a molecular weight of 276.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 2932859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).