Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl ester
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Basic information
- CAS
38004-33-0- Standard SMILES
CCOC(=O)CNC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1- InChIKey
LUTKKCRVMWQDLG-UHFFFAOYSA-N- Molecular formula
- C20H19F3N2O5
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.1246062
Names & identifiers
- Preferred name
- Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl ester
- IUPAC
- [2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
- English name
- ethoxycarbonylmethylcarbamoylmethyl 2-[[3-(trifluoromethyl)phenyl]amin o]benzoate
- Molecular formula
- C20H19F3N2O5
- Molecular weight
- 0
Names & synonyms
38004-33-0Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl esterN-((2-(3-Trifluormethylanilino)benzoyloxy)acetyl)glycinaethyl ester [German]DTXSID40191421N-((2-(3-Trifluormethylanilino)benzoyloxy)acetyl)glycinaethyl esterRefChem:326639DTXCID50113912[2-[(2-Ethoxy-2-Oxoethyl)Amino]-2-Oxoethyl] 2-[[3-(Trifluoromethyl)Phenyl]Amino]Benzoate2-[(2-Ethoxy-2-oxoethyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)anilino]benzoateethoxycarbonylmethylcarbamoylmethyl 2-[[3-(trifluoromethyl)phenyl]amin o]benzoate
Database identifiers
- CAS
38004-33-0- PubChem CID
- 217012
- DTXSID
DTXSID40191421
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 599
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Related reactions
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Compound notes
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