N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide
Basic information
- CAS
14170-83-3- Standard SMILES
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1- InChIKey
GMDLNQKNDFFWBU-UHFFFAOYSA-N- Molecular formula
- C12H10N2O5
- Average molar mass
- 262.22 g/mol
- Monoisotopic mass
- 262.05897142
Names & identifiers
- Preferred name
- N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide
- IUPAC
- N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide
Names & synonyms
N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide14170-83-3N-(4-methoxyphenyl)-5-nitro-2-furamideMLS0012100915-Nitro-furan-2-carboxylic acid (4-methoxy-phenyl)-amideSMR000513391N-(4-methoxyphenyl)-5-nitro-furan-2-carboxamideOprea1_173604Oprea1_777361CHEMBL187263cid_774010SCHEMBL6427130
Show more names
BDBM65582DTXSID001329910HMS2813O23STK021536AKOS000668798CCG-105104EU-0036276ST50222419
Database identifiers
- CAS
14170-83-3- PubChem CID
- 774010
- DTXSID
DTXSID001329910- ChEMBL
CHEMBL187263
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Solubility23.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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