N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide

C13H12N2O5 — CID 844979

IUPACN-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccoc1C
InChIInChI=1S/C13H12N2O5/c1-8-10(5-6-20-8)13(16)14-11-7-9(15(17)18)3-4-12(11)19-2/h3-7H,1-2H3,(H,14,16)
InChIKeyKXVMNUZTEYHDNV-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.76
Rot. Bonds4

About N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide

N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide (PubChem CID 844979) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
PubChem CID844979
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccoc1C
InChIInChI=1S/C13H12N2O5/c1-8-10(5-6-20-8)13(16)14-11-7-9(15(17)18)3-4-12(11)19-2/h3-7H,1-2H3,(H,14,16)
InChIKeyKXVMNUZTEYHDNV-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-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-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

2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 51160514
N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 5154000
2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
CID 16797089
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
N-(2-methoxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949950
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide (CID 844979) is N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccoc1C.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is KXVMNUZTEYHDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-8-10(5-6-20-8)13(16)14-11-7-9(15(17)18)3-4-12(11)19-2/h3-7H,1-2H3,(H,14,16).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide?
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-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-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 844979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).