Basic information
- CAS
21015-16-7- Standard SMILES
CC(Cc1cccc(C(F)(F)F)c1)NC(=O)C#Cc1ccccc1- InChIKey
TTXKZCZXOPNCEQ-UHFFFAOYSA-N- Molecular formula
- C19H16F3NO
- Average molar mass
- 331.3 g/mol
- Monoisotopic mass
- 331.11839862
Names & identifiers
- Preferred name
- Propynamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-3-phenyl-
- IUPAC
- 3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-ynamide
- English name
- N-[α-Methyl-m-(trifluoromethyl)phenethyl]-3-phenylpropiolamide
- Molecular formula
- C19H16F3NO
- Molecular weight
- 331.33
Names & synonyms
BRN 289237421015-16-7N-(alpha-Methyl-m-trifluoromethylphenethyl)-3-phenylpropynamidePropynamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-3-phenyl-RefChem:375646DTXSID50943317N-[alpha-Methyl-m-(trifluoromethyl)phenethyl]-3-phenylpropiolamide3-Phenyl-N-{1-[3-(trifluoromethyl)phenyl]propan-2-yl}prop-2-ynimidic acidN-[α-Methyl-m-(trifluoromethyl)phenethyl]-3-phenylpropiolamide2-Propynamide, N-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-3-phenyl-
Database identifiers
- CAS
21015-16-7- PubChem CID
- 210141
- DTXSID
DTXSID50943317- Nikkaji
- J51.146C
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 11.7 · 11.70±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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