Basic information
- Standard SMILES
CCOC(C)n1cc(-c2cc(Cl)cc(C(C)N)c2-c2cc(F)cc(F)c2)cn1- InChIKey
DTIFLNWNNIWNIW-UHFFFAOYSA-N- Molecular formula
- C21H22ClF2N3O
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1419464
Names & identifiers
- Preferred name
- 1-{4-Chloro-6-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]-3',5'-difluorobiphenyl-2-yl}ethanamine
- IUPAC
- 1-[5-chloro-2-(3,5-difluorophenyl)-3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]ethanamine
Names & synonyms
SCHEMBL9928923DTIFLNWNNIWNIW-UHFFFAOYSA-N1-{4-Chloro-6-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]-3',5'-difluorobiphenyl-2-yl}ethanamine
Database identifiers
- PubChem CID
- 67969183
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 492
Related reactions
2 records
Compound notes
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