Basic information
- CAS
419559-57-2- Standard SMILES
COc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1- InChIKey
FKZNRKCPMRUCGH-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO3
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.0975211
Names & identifiers
- Preferred name
- N-(5-Chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
- IUPAC
- N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
Names & synonyms
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)propanamide419559-57-2RefChem:828112661-167-9SMR000137374CBMicro_028408Oprea1_833113MLS000532342CHEMBL1408906HMS2487D06STK414574AKOS003020626
Show more names
BIM-0028311.P001ST50539991AO-548/11990519SR-01000217334SR-01000217334-1
Database identifiers
- CAS
419559-57-2- PubChem CID
- 868614
- ChEMBL
CHEMBL1408906- EC Number
- 661-167-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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