Pentanamide, N-(3,5-bis(trifluoromethyl)phenyl)-2-propyl-
Basic information
- CAS
21021-78-3- Standard SMILES
CCCC(CCC)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
NMHLCGOFHYOVDB-UHFFFAOYSA-N- Molecular formula
- C16H19F6NO
- Average molar mass
- 355.32 g/mol
- Monoisotopic mass
- 355.1370832
Names & identifiers
- Preferred name
- Pentanamide, N-(3,5-bis(trifluoromethyl)phenyl)-2-propyl-
- IUPAC
- N-[3,5-bis(trifluoromethyl)phenyl]-2-propylpentanamide
Names & synonyms
BG 11 JIPentanamide, N-(3,5-bis(trifluoromethyl)phenyl)-2-propyl-N-(3,5-Bis(trifluoromethyl)phenyl)-2-propylpentanamide21021-78-3DTXSID90175231n-[3,5-bis(trifluoromethyl)phenyl]-2-propylpentanamide3,5-Valeroxylidide, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2-propyl-RefChem:368072DTXCID2097722
Database identifiers
- CAS
21021-78-3- PubChem CID
- 210145
- DTXSID
DTXSID90175231
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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