4-(3-Hydroxy-3-methylpyrrolidin-1-yl)-3-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
Basic information
- Standard SMILES
CC1(O)CCN(c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1- InChIKey
AGHYQAWGSYEFCZ-UHFFFAOYSA-N- Molecular formula
- C23H21F3N4O3
- Average molar mass
- 458.4 g/mol
- Monoisotopic mass
- 458.15657503
Names & identifiers
- Preferred name
- 4-(3-Hydroxy-3-methylpyrrolidin-1-yl)-3-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
- IUPAC
- 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
Names & synonyms
4-(3-Hydroxy-3-methylpyrrolidin-1-yl)-3-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamideCHEMBL3892626SCHEMBL15393525BDBM213419US9278981, 11
Database identifiers
- PubChem CID
- 89908397
- ChEMBL
CHEMBL3892626
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 668
Related reactions
1 records
Compound notes
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