4-Benzhydryl-N-(3-(trifluoromethyl)phenyl)-1-piperazinecarboxamide
Basic information
- CAS
401578-06-1- Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1- InChIKey
PYGXDHNUEDDHOA-UHFFFAOYSA-N- Molecular formula
- C25H24F3N3O
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.18714688
Names & identifiers
- Preferred name
- 4-Benzhydryl-N-(3-(trifluoromethyl)phenyl)-1-piperazinecarboxamide
- IUPAC
- 4-benzhydryl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Names & synonyms
401578-06-14-BENZHYDRYL-N-(3-(TRIFLUOROMETHYL)PHENYL)-1-PIPERAZINECARBOXAMIDERefChem:518401644-931-64-(diphenylmethyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide4-benzhydryl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamideCHEMBL5742479SCHEMBL18657820PYGXDHNUEDDHOA-UHFFFAOYSA-NBDBM519053AKOS001695921US11116757, No. B40
Show more names
ST51022173[4-(diphenylmethyl)piperazinyl]-N-[3-(trifluoromethyl)phenyl]carboxamide4-(DIPHENYLMETHYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE-1-CARBOXAMIDE
Database identifiers
- CAS
401578-06-1- PubChem CID
- 1292895
- ChEMBL
CHEMBL5742479- EC Number
- 644-931-6
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 576
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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