Basic information
- CAS
909662-07-3- Standard SMILES
O=C(c1ccc(C(F)(F)F)nc1)N1CCC(NC(=O)N2CCc3cc(F)ccc32)CC1- InChIKey
JFQQLFLBVWENBM-UHFFFAOYSA-N- Molecular formula
- C21H20F4N4O2
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 436.15223854
Names & identifiers
- Preferred name
- 5-Fluoro-N-(1-([6-(trifluoromethyl)pyridin-3-YL]carbonyl)piperidin-4-YL)indoline-1-carboxamide
- IUPAC
- 5-fluoro-N-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
- English name
- 5-FLUORO-N-(1-([6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]CARBONYL)PIPERIDIN-4-YL)INDOLINE-1-CARBOXAMIDE
- Molecular formula
- C21H20F4N4O2
- Molecular weight
- 436.4
Names & synonyms
909662-07-35-FLUORO-N-(1-([6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]CARBONYL)PIPERIDIN-4-YL)INDOLINE-1-CARBOXAMIDE1H-Indole-1-carboxamide, 5-fluoro-2,3-dihydro-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]carbonyl]-4-piperidinyl]-
Database identifiers
- CAS
909662-07-3- PubChem CID
- 24736645
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 668
Physicochemical properties
- Boiling point
- 629.1 · 629.1±55.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 12.87 · 12.87±0.20(Predicted)
Chemistry & industry
Suppliers1 total
PEAKDALE-INT[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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