2-(2-Chloro-4-fluoro-phenoxy)-N-(5-methanesulfonyl-adamantan-2-yl)-2-methyl-propionamide
Basic information
- CAS
898265-30-0- Standard SMILES
CC(C)(Oc1ccc(F)cc1Cl)C(=O)NC1C2CC3CC1CC(S(C)(=O)=O)(C3)C2- InChIKey
ULLPKOZNMAWTIP-UHFFFAOYSA-N- Molecular formula
- C21H27ClFNO4S
- Average molar mass
- 444 g/mol
- Monoisotopic mass
- 443.1333354
Names & identifiers
- Preferred name
- 2-(2-Chloro-4-fluoro-phenoxy)-N-(5-methanesulfonyl-adamantan-2-yl)-2-methyl-propionamide
- IUPAC
- 2-(2-chloro-4-fluorophenoxy)-2-methyl-N-(5-methylsulfonyl-2-adamantyl)propanamide
Names & synonyms
2-(2-chloro-4-fluoro-phenoxy)-N-(5-methanesulfonyl-adamantan-2-yl)-2-methyl-propionamideRefChem:453540898265-30-0633-019-3CHEMBL241707SCHEMBL1046598SCHEMBL19248179BDBM50197414PD036503Q27097500
Database identifiers
- CAS
898265-30-0- PubChem CID
- 11655188
- ChEMBL
CHEMBL241707- EC Number
- 633-019-3
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 751
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Compound notes
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