Acetophenone, p-(2-chloronicotinamido)-, O-(2-diethylaminoethyl)oxime
Basic information
- CAS
38063-92-2- Standard SMILES
CCN(CC)CCO/N=C(\C)c1ccc(NC(=O)c2cccnc2Cl)cc1- InChIKey
NORZPLOJGNKPSU-UHFFFAOYSA-N- Molecular formula
- C20H25ClN4O2
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.1666037
Names & identifiers
- Preferred name
- Acetophenone, p-(2-chloronicotinamido)-, O-(2-diethylaminoethyl)oxime
- IUPAC
- 2-chloro-N-[4-[(E)-N-[2-(diethylamino)ethoxy]-C-methylcarbonimidoyl]phenyl]pyridine-3-carboxamide
- English name
- 4'-(2-Chloronicotinoylamino)acetophenone O-(2-diethylaminoethyl)oxime
- Molecular formula
- C20H25ClN4O2
- Molecular weight
- 388.89
Names & synonyms
38063-92-2ACETOPHENONE, p-(2-CHLORONICOTINAMIDO)-, O-(2-DIETHYLAMINOETHYL)OXIMERefChem:1075992BRN 0442984p-(2-Chloronicotinamido)acetophenone O-(2-diethylaminoethyl)oxime4'-(2-Chloronicotinoylamino)acetophenone O-(2-diethylaminoethyl)oxime3-Pyridinecarboxamide, 2-chloro-N-[4-[1-[[2-(diethylamino)ethoxy]imino]ethyl]phenyl]-
Database identifiers
- CAS
38063-92-2- PubChem CID
- 9570570
- Nikkaji
- J90.724C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 10.63 · 10.63±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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