Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester
Basic information
- CAS
27474-68-6- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1- InChIKey
JZUQGYNIZDBECD-UHFFFAOYSA-N- Molecular formula
- C22H25F3N2O4
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 438.17664177
Names & identifiers
- Preferred name
- Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester
- IUPAC
- 2-(diethylamino)ethyl 4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
Names & synonyms
BRN 2792178Benzoic acid, 4-(((3-(trifluoromethyl)phenoxy)acetyl)amino)-, 2-(diethylamino)ethyl ester27474-68-6DTXSID201819014-(((3-(Trifluoromethyl)phenoxy)acetyl)amino)benzoic acid 2-(diethylamino)ethyl esterRefChem:327283DTXCID201043922-(Diethylamino)ethyl 4-{2-[3-(trifluoromethyl)phenoxy]acetamido}benzoate
Database identifiers
- CAS
27474-68-6- PubChem CID
- 213993
- DTXSID
DTXSID20181901
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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