N-(3-Chloro-4-methoxyphenyl)-3,4,5-trimethoxybenzamide
Basic information
- CAS
329197-80-0- Standard SMILES
COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl- InChIKey
TVAROKKOIOJGIT-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO5
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.0873504
Names & identifiers
- Preferred name
- N-(3-Chloro-4-methoxyphenyl)-3,4,5-trimethoxybenzamide
- IUPAC
- N-(3-chloro-4-methoxyphenyl)-3,4,5-trimethoxybenzamide
- English name
- N-(3-chloro-4-methoxyphenyl)-3,4,5-trimethoxybenzamide
- Molecular formula
- C17H18ClNO5
- Molecular weight
- 351.78152
Names & synonyms
N-(3-chloro-4-methoxyphenyl)-3,4,5-trimethoxybenzamideRefChem:826353329197-80-0661-278-2ZINC830169Oprea1_386841Oprea1_392333MFCD01145775STK324887ZINC00830169AKOS000544215ZINC000000830169
Show more names
EU-0003024ST51004057SR-01000413946SR-01000413946-1N(3CHLORO4METHOXYPHENYL)345TRIMETHOXYBENZAMIDEZ26743904COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)ClN(3CHLORO4METHOXYPHENYL)(345TRIMETHOXYPHENYL)CARBOXAMIDE
Database identifiers
- CAS
329197-80-0- PubChem CID
- 1104072
- EC Number
- 661-278-2
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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