N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide

C13H12N2O5 — CID 878122

IUPACN-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H12N2O5/c1-8-3-4-10(19-2)9(7-8)14-13(16)11-5-6-12(20-11)15(17)18/h3-7H,1-2H3,(H,14,16)
InChIKeyJIYFACKBPOSVFS-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.76
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide

N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 878122) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID878122
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H12N2O5/c1-8-3-4-10(19-2)9(7-8)14-13(16)11-5-6-12(20-11)15(17)18/h3-7H,1-2H3,(H,14,16)
InChIKeyJIYFACKBPOSVFS-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'}

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 5154000
N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide
CID 743335
5-acetamido-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 110699937
5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023
2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43761092
(2,4-dimethylphenyl) 5-nitrofuran-2-carboxylate
CID 47097436
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-nitrofuran-2-carboxamide
CID 94646470
2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide
CID 110317075
N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]-5-nitrofuran-2-carboxamide
CID 6491060
N-(2-methoxy-5-methylphenyl)-2-nitroacetamide
CID 21322087
N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113257818

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide (CID 878122) is N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is JIYFACKBPOSVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-8-3-4-10(19-2)9(7-8)14-13(16)11-5-6-12(20-11)15(17)18/h3-7H,1-2H3,(H,14,16).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-5-nitrofuran-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-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 878122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).