Basic information
- Standard SMILES
CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(N)c3)cc2C(F)(F)F)CC1- InChIKey
IZVXQZSRWIATGB-UHFFFAOYSA-N- Molecular formula
- C22H27F3N4O
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.21369598
Names & identifiers
- Preferred name
- N-(3-amino-4-methylphenyl)-4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide
- IUPAC
- N-(3-amino-4-methylphenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
Names & synonyms
N-(3-amino-4-methylphenyl)-4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamideSCHEMBL2226481
Database identifiers
- PubChem CID
- 67324831
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 565
Related reactions
4 records
Compound notes
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