3-chloro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
Basic information
- CAS
5468-09-7- Standard SMILES
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/C=C/c1ccccc1- InChIKey
NARMOIRCVUVSGV-JPDQMXGXSA-N- Molecular formula
- C18H16ClN3O2
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 341.0931045
Names & identifiers
- Preferred name
- 3-chloro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
- IUPAC
- 3-chloro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
Names & synonyms
5468-09-73-chloro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide3-chloro-N-{2-oxo-2-[2-(3-phenyl-2-propen-1-ylidene)hydrazino]ethyl}benzamideAC1NSTHEMLS000576498CHEMBL3192702DTXSID80416842CCG-8393AKOS024345728SMR000185882BIM-0020518.P001SR-01000209788
Show more names
SR-01000209788-13-chloro-N-(2-oxo-2-{(2E)-2-[(2E)-3-phenyl-2-propenylidene]hydrazino}ethyl)benzamide3-Chloro-N-(2-oxo-2-{(2E)-2-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazin-1-yl}ethyl)benzamide3-chloro-N-{2-oxo-2-[2-(3-phenyl-2-propen-1-ylidene)hydrazino]ethyl}benzamide (non-preferred name)
Database identifiers
- CAS
5468-09-7- PubChem CID
- 5339481
- DTXSID
DTXSID80416842- ChEMBL
CHEMBL3192702
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 473
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Compound notes
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