Basic information
- CAS
40754-99-2- Standard SMILES
CCCC(CCC)NC(=O)c1ccc(C(F)(F)F)cc1- InChIKey
KMILMMNSALPHNT-UHFFFAOYSA-N- Molecular formula
- C15H20F3NO
- Average molar mass
- 287.32 g/mol
- Monoisotopic mass
- 287.14969875
Names & identifiers
- Preferred name
- Benzamide, N-(1-propylbutyl)-4-(trifluoromethyl)-
- IUPAC
- N-heptan-4-yl-4-(trifluoromethyl)benzamide
Names & synonyms
Benzamide, N-(1-propylbutyl)-4-(trifluoromethyl)-40754-99-2RefChem:1078041N-(1-Propylbutyl)-4-(trifluoromethyl)benzamideBRN 2285176n-(heptan-4-yl)-4-(trifluoromethyl)benzamideSCHEMBL22996160DTXSID90961176KMILMMNSALPHNT-UHFFFAOYSA-N
Database identifiers
- CAS
40754-99-2- PubChem CID
- 218522
- DTXSID
DTXSID90961176
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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