5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide

C14H14N2O4 — CID 17146023

IUPAC5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)c1
InChIInChI=1S/C14H14N2O4/c1-8-6-9(2)13(10(3)7-8)15-14(17)11-4-5-12(20-11)16(18)19/h4-7H,1-3H3,(H,15,17)
InChIKeySNOQYKPHQCJSAT-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.37
Rot. Bonds3

About 5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide

5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide (PubChem CID 17146023) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
PubChem CID17146023
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)c1
InChIInChI=1S/C14H14N2O4/c1-8-6-9(2)13(10(3)7-8)15-14(17)11-4-5-12(20-11)16(18)19/h4-7H,1-3H3,(H,15,17)
InChIKeySNOQYKPHQCJSAT-UHFFFAOYSA-N
XLogP3.37
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]furan-2-carboxamide
CID 26713870
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040
5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 82344274
N-(2-methoxy-5-methylphenyl)-5-nitrofuran-2-carboxamide
CID 878122
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-[2-methyl-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 145293615
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 43974208
N-[(3-methylphenyl)methyl]-5-nitrofuran-2-carboxamide
CID 34164755
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
(2,4-dimethylphenyl) 5-nitrofuran-2-carboxylate
CID 47097436

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide (CID 17146023) is 5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide is Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)c1.
What is the InChIKey of 5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The InChIKey is SNOQYKPHQCJSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-6-9(2)13(10(3)7-8)15-14(17)11-4-5-12(20-11)16(18)19/h4-7H,1-3H3,(H,15,17).
What are the key properties of 5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 17146023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).