N-[(4-dimethylaminophenyl)methyl]-6-fluoro-N-(4-isopropylphenyl)chroman-4-carboxamide
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Basic information
- Standard SMILES
CC(C)c1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCOc3ccc(F)cc32)cc1- InChIKey
DJFRJJOEVYEUEP-UHFFFAOYSA-N- Molecular formula
- C28H31FN2O2
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.2369564
Names & identifiers
- Preferred name
- N-[(4-dimethylaminophenyl)methyl]-6-fluoro-N-(4-isopropylphenyl)chroman-4-carboxamide
- IUPAC
- N-[[4-(dimethylamino)phenyl]methyl]-6-fluoro-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
Names & synonyms
SCHEMBL1843559DJFRJJOEVYEUEP-UHFFFAOYSA-NN-[(4-dimethylaminophenyl)methyl]-6-fluoro-N-(4-isopropylphenyl)chroman-4-carboxamide
Database identifiers
- PubChem CID
- 10182151
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 625
Related reactions
2 records
Compound notes
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