N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide

C13H12N2O6 — CID 743335

IUPACN-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(OC)c1
InChIInChI=1S/C13H12N2O6/c1-19-8-3-4-9(11(7-8)20-2)14-13(16)10-5-6-12(21-10)15(17)18/h3-7H,1-2H3,(H,14,16)
InChIKeyRDXPSPVPWLUMAT-UHFFFAOYSA-N
MW292.25 g/mol
LogP2.46
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide

N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 743335) has the molecular formula C13H12N2O6 and a molecular weight of 292.25 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide
PubChem CID743335
Molecular FormulaC13H12N2O6
Molecular Weight292.25 g/mol
Exact Mass292.07
IUPAC NameN-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(OC)c1
InChIInChI=1S/C13H12N2O6/c1-19-8-3-4-9(11(7-8)20-2)14-13(16)10-5-6-12(21-10)15(17)18/h3-7H,1-2H3,(H,14,16)
InChIKeyRDXPSPVPWLUMAT-UHFFFAOYSA-N
XLogP2.46
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide
CID 878122
N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 5154000
N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide
CID 6491060
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 5111728
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19417299
N-(2,4-dimethoxyphenyl)-6-nitro-1,3-benzodioxole-5-carboxamide
CID 39952094
N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113257818
N-(2-bromo-4-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 81028624
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide (CID 743335) is N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is RDXPSPVPWLUMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O6/c1-19-8-3-4-9(11(7-8)20-2)14-13(16)10-5-6-12(21-10)15(17)18/h3-7H,1-2H3,(H,14,16).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide?
N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 292.25 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 743335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).