Basic information
- CAS
877237-17-7- Standard SMILES
O=C(COC(=O)Cc1c(F)cccc1Cl)NC(=O)Nc1ccccc1F- InChIKey
CSAQNBJIAGKUJF-UHFFFAOYSA-N- Molecular formula
- C17H13ClF2N2O4
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 382.0531909
Names & identifiers
- Preferred name
- [2-[(2-Fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
- IUPAC
- [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
Names & synonyms
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetateMLS002252993CHEMBL1883892DTXSID101324456HMS3049D08AKOS001221992877237-17-7SMR001315325Z183922152-{[(2-Fluorophenyl)carbamoyl]amino}-2-oxoethyl (2-chloro-6-fluorophenyl)acetate
Database identifiers
- CAS
877237-17-7- PubChem CID
- 9103025
- DTXSID
DTXSID101324456- ChEMBL
CHEMBL1883892
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 523
Experimental & physicochemical properties
Solubility1.9 [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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