Ethyl (1E)-N-(2-benzoyl-4-chlorophenyl)ethanimidate

HCID 12463100

Notes Reactions

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Basic information

CAS: 49691-59-0
Standard SMILES: CCOC(C)=Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIKey: AOZBUHWFXIOKQF-UHFFFAOYSA-N
Molecular formula: C17H16ClNO2
Average molar mass: 301.8 g/mol

Names & identifiers

Preferred name: Ethyl (1E)-N-(2-benzoyl-4-chlorophenyl)ethanimidate
IUPAC: ethyl N-(2-benzoyl-4-chlorophenyl)ethanimidate

Names & synonyms

49691-59-0Ethyl (1E)-N-(2-benzoyl-4-chlorophenyl)ethanimidateSCHEMBL11637044SCHEMBL11637049DTXSID30499241AOZBUHWFXIOKQF-UHFFFAOYSA-N5-chloro-2-(1-ethoxyethylideneamino)-benzophenoneETHYL N-(2-BENZOYL-4-CHLOROPHENYL)ETHANECARBOXIMIDATE

Database identifiers

CAS: 49691-59-0
PubChem CID: 12463100
DTXSID: DTXSID30499241

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 377

Related reactions

2 records

New reaction record

HRID 100455As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 2082692As productuspto-grants-1978_04

Compound notes

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