2H-1-Benzopyran-3-carboxamide, N-(2-phenylethyl)-
Basic information
- CAS
83823-10-3- Standard SMILES
O=C(NCCc1ccccc1)C1=Cc2ccccc2OC1- InChIKey
DFFJXEMYKJFSGW-UHFFFAOYSA-N- Molecular formula
- C18H17NO2
- Average molar mass
- 279.3 g/mol
- Monoisotopic mass
- 279.12592879
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-carboxamide, N-(2-phenylethyl)-
- IUPAC
- N-(2-phenylethyl)-2H-chromene-3-carboxamide
Names & synonyms
83823-10-3BRN 4489689N-(2-Phenylethyl)-2H-1-benzopyran-3-carboxamide2H-1-BENZOPYRAN-3-CARBOXAMIDE, N-(2-PHENYLETHYL)-DTXSID30232716RefChem:268326DTXCID60155207N-(2-Phenylethyl)-2H-chromene-3-carboxamideCHEMBL4997872AKOS002053488
Database identifiers
- CAS
83823-10-3- PubChem CID
- 55150
- DTXSID
DTXSID30232716- ChEMBL
CHEMBL4997872
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
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Compound notes
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