Basic information
- CAS
331434-74-3- Standard SMILES
O=C(NCc1ccc(F)cc1)c1cccs1- InChIKey
MXQYPMNMVLKJSO-UHFFFAOYSA-N- Molecular formula
- C12H10FNOS
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.04671328
Names & identifiers
- Preferred name
- N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
- IUPAC
- N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
Names & synonyms
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide331434-74-3Thiophene-2-carboxylic acid 4-fluoro-benzylamideMLS001205192SCHEMBL6361569SCHEMBL6361580CHEMBL1520074DTXSID001330664HMS2837D21STK122392AKOS000641427SMR000518388
Show more names
N-(4-fluorobenzyl)-2-thiophenecarboxamideN-(4-fluorobenzyl)thiophene-2-carboxamideST50016190N-[(4-fluorophenyl)methyl]-2-thienylcarboxamideAO-548/10415015Z26779881
Database identifiers
- CAS
331434-74-3- PubChem CID
- 2255653
- DTXSID
DTXSID001330664- ChEMBL
CHEMBL1520074
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
Solubility29.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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