Basic information
- CAS
5697-07-4- Standard SMILES
O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1- InChIKey
VKMCWCNLQJAUEE-UHFFFAOYSA-N- Molecular formula
- C17H17ClFN3O
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.104418
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
- IUPAC
- N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
Names & synonyms
N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide5697-07-4N-(3-chlorophenyl)-4-(4-fluorophenyl)-1-piperazinecarboxamideCambridge id 5697074Oprea1_246570Oprea1_786562DTXSID90353996HMS5233D10STK412049AKOS000390619CCG-286829ST50339977
Show more names
AB00093894-01N-(3-chlorophenyl)[4-(4-fluorophenyl)piperazinyl]carboxamide
Database identifiers
- CAS
5697-07-4- PubChem CID
- 761124
- DTXSID
DTXSID90353996
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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