Basic information
- CAS
4092-83-5- Standard SMILES
O=C(NC(Cc1ccc(N(CCF)CCF)cc1)C(=O)O)c1ccccc1- InChIKey
FFOGPIIAKXVFCM-UHFFFAOYSA-N- Molecular formula
- C20H22F2N2O3
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.15984889
Names & identifiers
- Preferred name
- Alanine, N-benzoyl-3-(p-(bis(2-fluoroethyl)amino)phenyl)-
- IUPAC
- 2-benzamido-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
Names & synonyms
4092-83-5ALANINE, N-BENZOYL-3-(p-(BIS(2-FLUOROETHYL)AMINO)PHENYL)-RefChem:1076303N-Benzoyl-3-(p-(bis(2-fluoroethyl)amino)phenyl)alanineNSC 82216NSC82216NCIOpen2_009125DTXSID7013814822-benzamido-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acidNSC-82216
Database identifiers
- CAS
4092-83-5- PubChem CID
- 20028
- DTXSID
DTXSID701381482
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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