n-(1,3-Benzodioxol-5-ylmethyl)-2,2,2-trifluoro-n-[2-(4-hydroxyphenyl)ethyl]acetamide
Basic information
- CAS
40135-88-4- Standard SMILES
O=C(N(CCc1ccc(O)cc1)Cc1ccc2c(c1)OCO2)C(F)(F)F- InChIKey
FVOHWJUBZNYSHR-UHFFFAOYSA-N- Molecular formula
- C18H16F3NO4
- Average molar mass
- 367.3 g/mol
- Monoisotopic mass
- 367.10314248
Names & identifiers
- Preferred name
- n-(1,3-Benzodioxol-5-ylmethyl)-2,2,2-trifluoro-n-[2-(4-hydroxyphenyl)ethyl]acetamide
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
Names & synonyms
n-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-n-[2-(4-hydroxyphenyl)ethyl]acetamide40135-88-4NSC159938SCHEMBL19529617DTXSID50303679FVOHWJUBZNYSHR-UHFFFAOYSA-NAKOS004907110NSC-159938N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamideDS-009537Acetamide,n-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-n-[2-(4-hydroxyphenyl)ethyl]-
Database identifiers
- CAS
40135-88-4- PubChem CID
- 293382
- DTXSID
DTXSID50303679- Nikkaji
- J2.052.695E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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