Basic information
- CAS
457-55-6- Standard SMILES
CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1- InChIKey
BEZFFVWAWNUQNR-UHFFFAOYSA-N- Molecular formula
- C18H15F3N2O4
- Average molar mass
- 380.3 g/mol
- Monoisotopic mass
- 380.09839145
Names & identifiers
- Preferred name
- Ethyl 4-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]benzoate
- IUPAC
- ethyl 4-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]benzoate
Names & synonyms
Ethyl 4-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]benzoateDTXSID501170546457-55-6Ethyl 4-[4-(2,2,2-trifluoroacetamido)benzamido]benzoate
Database identifiers
- CAS
457-55-6- PubChem CID
- 3674538
- DTXSID
DTXSID501170546
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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