Basic information
- CAS
737801-80-8- Standard SMILES
O=C(COc1ccccc1)Nc1cccc2cc[nH]c12- InChIKey
JRBKTJSSZDZHMI-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Names & identifiers
- Preferred name
- N-(1H-Indol-7-YL)-2-phenoxyacetamide
- IUPAC
- N-(1H-indol-7-yl)-2-phenoxyacetamide
- English name
- N-(1H-Indol-7-yl)-2-phenoxyacetamide
- Molecular formula
- C16H14N2O2
- Molecular weight
- 266.3
Names & synonyms
N-(1H-INDOL-7-YL)-2-PHENOXYACETAMIDE737801-80-8DTXSID10695426Carbamic acid, N-1H-indol-7-yl-, phenylmethyl ester
Database identifiers
- CAS
737801-80-8- PubChem CID
- 53404756
- DTXSID
DTXSID10695426
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Boiling point
- 439.677 · 439.677±28.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.615 · 14.615±0.43(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…