2-(3-Bromobenzoyl)-3-phenylaminoacrylonitrile

HCID 69686607
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Basic information

Standard SMILES
N#CC(=CNc1ccccc1)C(=O)c1cccc(Br)c1
InChIKey
WQMCIPCJADGHGQ-UHFFFAOYSA-N
Molecular formula
C16H11BrN2O
Average molar mass
327.17 g/mol

Names & identifiers

Preferred name
2-(3-Bromobenzoyl)-3-phenylaminoacrylonitrile
IUPAC
3-anilino-2-(3-bromobenzoyl)prop-2-enenitrile

Names & synonyms

SCHEMBL6160293WQMCIPCJADGHGQ-UHFFFAOYSA-N2-(3-bromobenzoyl)-3-phenylaminoacrylonitrile

Database identifiers

PubChem CID
69686607

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
52.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
20

Related reactions

8 records
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Compound notes

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