Basic information
- CAS
22056-47-9- Standard SMILES
CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2)c1C- InChIKey
NCKJEVKMSGMNOF-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.13682782
Names & identifiers
- Preferred name
- Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
- IUPAC
- 4-acetyl-N-benzyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
- English name
- 4-Acetyl-N-benzyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
- Molecular weight
- 0
Names & synonyms
22056-47-9BRN 04144184-Acetyl-N-benzyl-3,5-dimethyl-pyrrole-2-carboxamidePyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-DTXSID801765355-22-06-00173 (Beilstein Handbook Reference)RefChem:377866DTXCID50990264-acetyl-n-benzyl-3,5-dimethyl-1h-pyrrole-2-carboxamideMLS000567112CHEMBL1578789HMS2165N21
Show more names
HMS3308M18ZINC00429523AKOS001824501NCGC00246102-01SMR000153824ST095281EU-0093038SR-01000127711
Database identifiers
- CAS
22056-47-9- PubChem CID
- 211019
- DTXSID
DTXSID80176535- ChEMBL
CHEMBL1578789- EC Number
- 111-988-9
- Nikkaji
- J87.066H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
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)
The GHS information provided by 1 company from 1 notification 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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