N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
Basic information
- CAS
477863-91-5- Standard SMILES
CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F- InChIKey
IHPDHPCPHLQXSA-UHFFFAOYSA-N- Molecular formula
- C12H11F6NO3
- Average molar mass
- 331.21 g/mol
- Monoisotopic mass
- 331.06431219
Names & identifiers
- Preferred name
- N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
- IUPAC
- N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
- English name
- N-METHYL-2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZENECARBOXAMIDE
- Molecular formula
- C12H11F6NO3
- Molecular weight
- 331.21
Names & synonyms
N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide477863-91-5N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzenecarboxamideMLS000721007CHEMBL1540456IHPDHPCPHLQXSA-UHFFFAOYSA-NDTXSID601326695HMS2670K08AKOS00508129312P-547SSMR000335561Benzamide, N-methyl-2,5-bis(2,2,2-trifluoroethoxy)-
Database identifiers
- CAS
477863-91-5- PubChem CID
- 3523397
- DTXSID
DTXSID601326695- ChEMBL
CHEMBL1540456
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
Solubility49.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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