N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
Basic information
- CAS
588673-81-8- Standard SMILES
CC(NC(=O)c1sc2cccc(F)c2c1Cl)c1ccc2c(c1)OCO2- InChIKey
FJOYCHBRBSKQSY-UHFFFAOYSA-N- Molecular formula
- C18H13ClFNO3S
- Average molar mass
- 377.8 g/mol
Names & identifiers
- Preferred name
- N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
- IUPAC
- N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
- English name
- Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI)
- Molecular formula
- C18H13ClFNO3S
- Molecular weight
- 377.82
Names & synonyms
588673-81-8Benzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro- (9CI)N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro-1-benzothiophene-2-carboxamideOprea1_598664STK434691AKOS003289740AKOS022148297ST50842320N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylethyl)(3-chloro-4-fluorobenzo[b]thiophen-2- yl)carboxamideN-[1-(2H-13-BENZODIOXOL-5-YL)ETHYL]-3-CHLORO-4-FLUORO-1-BENZOTHIOPHENE-2-CARBOXAMIDEBenzo[b]thiophene-2-carboxamide, N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4-fluoro-
Database identifiers
- CAS
588673-81-8
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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