Basic information
- Standard SMILES
COC(=O)C(Cc1cccc(CCOC(=O)Nc2ccc(F)cc2F)c1)C(=O)OC- InChIKey
NTITVZJJMIDUSR-UHFFFAOYSA-N- Molecular formula
- C21H21F2NO6
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 421.13369371
Names & identifiers
- Preferred name
- Dimethyl 2-(3-{2-[(2,4-difluoroanilinocarbonyl)-oxy]ethyl}benzyl)malonate
- IUPAC
- dimethyl 2-[[3-[2-[(2,4-difluorophenyl)carbamoyloxy]ethyl]phenyl]methyl]propanedioate
Names & synonyms
SCHEMBL13810380NTITVZJJMIDUSR-UHFFFAOYSA-NDimethyl 2-(3-{2-[(2,4-difluoroanilinocarbonyl)-oxy]ethyl}benzyl)malonate
Database identifiers
- PubChem CID
- 57719737
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 574
Related reactions
2 records
Compound notes
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