N-(2-methyl-5-nitrophenyl)furan-2-carboxamide

HCID 839948

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccco1
InChIKey: STTPWNQBPWPWAZ-UHFFFAOYSA-N
Molecular formula: C12H10N2O4
Average molar mass: 246.22 g/mol
Monoisotopic mass: 246.0640568

Names & identifiers

Preferred name: N-(2-methyl-5-nitrophenyl)furan-2-carboxamide
IUPAC: N-(2-methyl-5-nitrophenyl)furan-2-carboxamide

Names & synonyms

N-(2-methyl-5-nitrophenyl)furan-2-carboxamideCambridge id 5550560Oprea1_003353Oprea1_736203SCHEMBL13219558STK033884AKOS000578955N-(2-methyl-5-nitrophenyl)-2-furamide346692-59-9ST500033162-furyl-N-(2-methyl-5-nitrophenyl)carboxamideAB00088629-01

Database identifiers

PubChem CID: 839948

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 88.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 329

Related reactions

35 records

New reaction record

HRID 752304As productAIChemEco amide coupling conditions 47k dataset

HRID 752697As productAIChemEco amide coupling conditions 47k dataset

HRID 752724As productAIChemEco amide coupling conditions 47k dataset

HRID 754212As productAIChemEco amide coupling conditions 47k dataset

HRID 755533As productAIChemEco amide coupling conditions 47k dataset

HRID 759458As productAIChemEco amide coupling conditions 47k dataset

HRID 760445As productAIChemEco amide coupling conditions 47k dataset

HRID 760977As productAIChemEco amide coupling conditions 47k dataset

Compound notes

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