3-((1H-Indol-3-ylmethylene)-amino)-benzamide
Basic information
- CAS
303761-19-5- Standard SMILES
NC(=O)c1cccc(N=Cc2c[nH]c3ccccc23)c1- InChIKey
LIXYXRXWCQKTHI-UHFFFAOYSA-N- Molecular formula
- C16H13N3O
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.10586205
Names & identifiers
- Preferred name
- 3-((1H-Indol-3-ylmethylene)-amino)-benzamide
- IUPAC
- 3-(1H-indol-3-ylmethylideneamino)benzamide
- English name
- 3-[(1H-indol-3-ylmethylene)amino]benzamide
- Molecular formula
- C16H13N3O
- Molecular weight
- 263.29
Names & synonyms
CBMicro_016983CCG-5933AKOS000486010BIM-0017123.P001ST450327153-((1E)-2-indol-3-yl-1-azavinyl)benzamideSR-01000204255SR-01000204255-13-((1H-INDOL-3-YLMETHYLENE)-AMINO)-BENZAMIDE3-[(1H-indol-3-ylmethylene)amino]benzamide
Database identifiers
- CAS
303761-19-5- PubChem CID
- 794444
- EC Number
- 168-122-8
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Boiling point
- 539.928 · 539.928±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.265 · 1.265±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.388 · 15.388±0.30(predicted)
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Compound notes
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