8-allyl-N-(4-bromophenyl)-2-oxo-2H-chromene-3-carboxamide
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Basic information
- CAS
324065-16-9- Standard SMILES
C=CCc1cccc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc12- InChIKey
DJCQKDBUAICQRS-UHFFFAOYSA-N- Molecular formula
- C19H14BrNO3
- Average molar mass
- 384.2 g/mol
- Monoisotopic mass
- 383.01571
Names & identifiers
- Preferred name
- 8-allyl-N-(4-bromophenyl)-2-oxo-2H-chromene-3-carboxamide
- IUPAC
- N-(4-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
- English name
- 8-allyl-N-(4-bromophenyl)-2-oxo-2H-chromene-3-carboxamide
- Molecular formula
- C19H14BrNO3
- Molecular weight
- 384.22
Names & synonyms
324065-16-98-allyl-N-(4-bromophenyl)-2-oxo-2H-chromene-3-carboxamideN-(4-bromophenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamideN-(4-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamideOprea1_310340Oprea1_630059AKOS000521589ST50002722AG-690/36878035SR-01000424352SR-01000424352-1F1018-0153
Show more names
2H-1-Benzopyran-3-carboxamide, N-(4-bromophenyl)-2-oxo-8-(2-propen-1-yl)-
N-(4-bromophenyl)(2-oxo-8-prop-2-enylchromen-3-yl)carboxamideN-(4-bromophenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxamide
Database identifiers
- CAS
324065-16-9- PubChem CID
- 1016544
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- Boiling point
- 600.8 · 600.8±55.0 °C(Predicted)
- Density
- 1.51 · 1.510±0.06 g/cm3(Predicted)
- pka
- 11.02 · 11.02±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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