N-(4-cyano-3-pentafluorosulfanylphenyl)phthalamide ethyl ester
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Basic information
- Standard SMILES
CCN(C(=O)c1ccccc1C(N)=O)c1ccc(C#N)c(S(F)(F)(F)(F)F)c1- InChIKey
WCLKIRPAVHJENI-UHFFFAOYSA-N- Molecular formula
- C17H14F5N3O2S
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.07268868
Names & identifiers
- Preferred name
- N-(4-cyano-3-pentafluorosulfanylphenyl)phthalamide ethyl ester
- IUPAC
- 2-N-[4-cyano-3-(pentafluoro-lambda6-sulfanyl)phenyl]-2-N-ethylbenzene-1,2-dicarboxamide
Names & synonyms
SCHEMBL3527327WCLKIRPAVHJENI-UHFFFAOYSA-NN-(4-cyano-3-pentafluorosulfanylphenyl)phthalamide ethyl ester
Database identifiers
- PubChem CID
- 86633596
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 690
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Related reactions
1 records
Compound notes
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