[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
Basic information
- CAS
400057-46-7- Standard SMILES
O=C(COC(=O)CC1CC2CCC1C2)Nc1ccc(F)cc1Cl- InChIKey
AGLKJFIFZCWIST-UHFFFAOYSA-N- Molecular formula
- C17H19ClFNO3
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.1037493
Names & identifiers
- Preferred name
- [2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
- IUPAC
- [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
Names & synonyms
Enamine_004106Oprea1_440116MLS002252363CHEMBL1712159DTXSID701327153HMS1405K14HMS3076K17AKOS033642325[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate400057-46-7SMR001314710Z18773077
Show more names
2-(2-Chloro-4-fluoroanilino)-2-oxoethyl (bicyclo[2.2.1]heptan-2-yl)acetate
Database identifiers
- CAS
400057-46-7- PubChem CID
- 4348199
- DTXSID
DTXSID701327153- ChEMBL
CHEMBL1712159
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 461
Experimental & physicochemical properties
Solubility13.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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