Basic information
- CAS
38004-34-1- Standard SMILES
O=C(O)CNC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1- InChIKey
NKPPPCNNNKTASW-UHFFFAOYSA-N- Molecular formula
- C18H15F3N2O5
- Average molar mass
- 396.3 g/mol
- Monoisotopic mass
- 396.09330607
Names & identifiers
- Preferred name
- Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-((carboxymethyl)amino)-2-oxoethyl ester
- IUPAC
- 2-[[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyacetyl]amino]acetic acid
- English name
- 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amin o)benzoate
- Molecular formula
- C18H15F3N2O5
- Molecular weight
- 396.32
Names & synonyms
2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate38004-34-1Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-((carboxymethyl)amino)-2-oxoethyl esterDTXSID00191422N-((2-(3-Trifluormethylanilino)benzoyloxy)acetyl)glycin [German]N-((2-(3-Trifluormethylanilino)benzoyloxy)acetyl)glycinRefChem:326640DTXCID10113913NKPPPCNNNKTASW-UHFFFAOYSA-NN-[({2-[3-(Trifluoromethyl)anilino]benzoyl}oxy)acetyl]glycine2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amin o)benzoateBenzoic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-, 2-[(carboxymethyl)amino]-2-oxoethyl ester
Database identifiers
- CAS
38004-34-1- PubChem CID
- 217013
- DTXSID
DTXSID00191422
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 570
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…