N-[(E)-3-anilino-1-(3-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide
Basic information
- CAS
5873-52-9- Standard SMILES
O=C(Nc1ccccc1)/C(=C\c1cccc(Br)c1)NC(=O)c1ccccc1- InChIKey
WIMGLXKMURMJHE-HMMYKYKNSA-N- Molecular formula
- C22H17BrN2O2
- Average molar mass
- 421.3 g/mol
- Monoisotopic mass
- 420.04734
Names & identifiers
- Preferred name
- N-[(E)-3-anilino-1-(3-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide
- IUPAC
- N-[(E)-3-anilino-1-(3-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide
Names & synonyms
5873-52-9N-[(E)-3-anilino-1-(3-bromophenyl)-3-oxoprop-1-en-2-yl]benzamideN-[1-(anilinocarbonyl)-2-(3-bromophenyl)vinyl]benzamideAC1M3DWODTXSID80366893SMSF0008917CB07779BIM-0013871.P001N-[(1E)-3-Anilino-1-(3-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide
Database identifiers
- CAS
5873-52-9- PubChem CID
- 2188121
- DTXSID
DTXSID80366893
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 536
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