N-benzyl-3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
Basic information
- CAS
587846-14-8- Standard SMILES
CCN(Cc1ccccc1)C(=O)c1sc2ccccc2c1Cl- InChIKey
CLMBJCGYAXQBTO-UHFFFAOYSA-N- Molecular formula
- C18H16ClNOS
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.064113
Names & identifiers
- Preferred name
- N-benzyl-3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
- IUPAC
- N-benzyl-3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
- English name
- Benzo[b]thiophene-2-carboxamide, 3-chloro-N-ethyl-N-(phenylmethyl)- (9CI)
- Molecular formula
- C18H16ClNOS
- Molecular weight
- 329.84
Names & synonyms
587846-14-8N-benzyl-3-chloro-N-ethyl-1-benzothiophene-2-carboxamide3-Chloro-N-ethyl-N-(phenylmethyl)benzo[b]thiophene-2-carboxamideDTXSID401172963AKOS003298431DB-274394ST50618211(3-chlorobenzo[b]thiophen-2-yl)-N-ethyl-N-benzylcarboxamideBENZO[B]THIOPHENE-2-CARBOXAMIDE, 3-CHLORO-N-ETHYL-N-(PHENYLMETHYL)-Benzo[b]thiophene-2-carboxamide, 3-chloro-N-ethyl-N-(phenylmethyl)- (9CI)
Database identifiers
- CAS
587846-14-8- PubChem CID
- 2162196
- DTXSID
DTXSID401172963
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 521.6 · 521.6±45.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- pka
- -1.81 · -1.81±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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