N-(4-Iodophenyl)-5-nitrofuran-2-carboxamide

C₁₁H₇IN₂O₄CAS 314054-00-7358.09 g/mol

Open in Covalent MOL file

Amide Aryl halide Nitro

Properties

Molecular formula: C₁₁H₇IN₂O₄
Molar mass: 358.09 g/mol
Exact mass: 357.9451 Da
logP: 3.04Crippen estimate
Polar surface area: 85.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

314054-00-7

SMILES

C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])I

InChIKey

JBIKQXOZLBLMKI-UHFFFAOYSA-N

InChI

InChI=1S/C11H7IN2O4/c12-7-1-3-8(4-2-7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with N-(4-Iodophenyl)-5-nitrofuran-2-carboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Nitro-2-furoyl chloride25084-14-449 % similar 5-Nitro-2-furoic acid645-12-549 % similar Methyl 5-nitro-2-furoate1874-23-346 % similar 4′-Nitrobenzanilide3393-96-243 % similar 1-Iodo-4-nitrobenzene636-98-640 % similar 4,4'-Dinitrocarbanilide587-90-639 % similar 4-Iodo-4'-nitro-1,1'-biphenyl29170-08-938 % similar 5-Nitrofurfural698-63-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook