Basic information
- Standard SMILES
Cc1ncncc1-c1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)ccc1N1C[C@H](O)[C@@H](O)C1- InChIKey
ONRMFYUOFYAZHW-SFTDATJTSA-N- Molecular formula
- C23H21ClF2N4O4
- Average molar mass
- 490.9 g/mol
- Monoisotopic mass
- 490.1219392
Names & identifiers
- Preferred name
- N-(4-(Chlorodifluoromethoxy)phenyl)-4-((3S,4S)-3,4-dihydroxypyrrolidin-1-yl)-3-(4-methylpyrimidin-5-yl)benzamide
- IUPAC
- N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-methylpyrimidin-5-yl)benzamide
Names & synonyms
N-(4-(Chlorodifluoromethoxy)phenyl)-4-((3S,4S)-3,4-dihydroxypyrrolidin-1-yl)-3-(4-methylpyrimidin-5-yl)benzamideCHEMBL3953095SCHEMBL15393255BDBM213705US9278981, 297
Database identifiers
- PubChem CID
- 89908150
- ChEMBL
CHEMBL3953095
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 690
Related reactions
1 records
Compound notes
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