N-(3-acetylphenyl)-5-chlorothiophene-2-carboxamide
Basic information
- CAS
312772-68-2- Standard SMILES
CC(=O)c1cccc(NC(=O)c2ccc(Cl)s2)c1- InChIKey
HDSHZLZMDAJJQD-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO2S
- Average molar mass
- 279.74 g/mol
- Monoisotopic mass
- 279.0120774
Names & identifiers
- Preferred name
- N-(3-acetylphenyl)-5-chlorothiophene-2-carboxamide
- IUPAC
- N-(3-acetylphenyl)-5-chlorothiophene-2-carboxamide
- English name
- N-(3-Acetylphenyl)-5-chlorothiophene-2-carboxamide
- Molecular formula
- C13H10ClNO2S
- Molecular weight
- 279.74
Names & synonyms
N-(3-acetylphenyl)-5-chlorothiophene-2-carboxamide312772-68-2MFCD04406400HDSHZLZMDAJJQD-UHFFFAOYSA-NALBB-002927BBL037638STK502529STX104769AKOS005171147VS-14337CS-0316204H22434
Show more names
2-Thiophenecarboxamide, N-(3-acetylphenyl)-5-chloro-
N-(3-acetylphenyl)-5-chloro-thiophene-2-carboxamideF0174-03525-chloro-thiophene-2-carboxylic acid (3-acetyl-phenyl)-amide
Database identifiers
- CAS
312772-68-2- PubChem CID
- 4054491
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 359.3 · 359.3±37.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- pka
- 11.59 · 11.59±0.70(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
1 records
Compound notes
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