Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)c(F)c1)c1cccc(-c2cncnc2)c1- InChIKey
RLLXECRBCPORMF-UHFFFAOYSA-N- Molecular formula
- C18H11F4N3O2
- Average molar mass
- 377.3 g/mol
- Monoisotopic mass
- 377.07873925
Names & identifiers
- Preferred name
- N-(3-Fluoro-4-(trifluoromethoxy)phenyl)-3-(pyrimidin-5-yl)benzamide
- IUPAC
- N-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyrimidin-5-ylbenzamide
Names & synonyms
N-(3-Fluoro-4-(trifluoromethoxy)phenyl)-3-(pyrimidin-5-yl)benzamideCHEMBL3908038SCHEMBL15392021BDBM222473US9315489, 9
Database identifiers
- PubChem CID
- 89907137
- ChEMBL
CHEMBL3908038
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 499
Related reactions
1 records
Compound notes
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