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2-chloro-N-({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)-N-(propan-2-yl)acetamide

HCID 2103995
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
747411-16-1
Standard SMILES
CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCl
InChIKey
NCFQQSCEJZFFBI-UHFFFAOYSA-N
Molecular formula
C14H15Cl2F3N2O2
Average molar mass
371.2 g/mol
Monoisotopic mass
370.0462676

Names & identifiers

Preferred name
2-chloro-N-({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)-N-(propan-2-yl)acetamide
IUPAC
2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

Names & synonyms

2-chloro-N-({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)-N-(propan-2-yl)acetamide2-Chloro-N-[2-[[4-chloro-2-(trifluoromethyl)phenyl]amino]-2-oxoethyl]-N-(1-methylethyl)acetamide2-chloro-N-(((4-chloro-2-(trifluoromethyl)phenyl)carbamoyl)methyl)-N-(propan-2-yl)acetamide2-Chloro-N-(2-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-oxoethyl)-N-(1-methylethyl)acetamideRefChem:469841963-363-2747411-16-12-chloro-N-(2-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl)-N-isopropylacetamide2-[(2-chloroacetyl)-propan-2-ylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide2-Chloro-n-(2-([4-chloro-2-(trifluoromethyl)phenyl]amino)-2-oxoethyl)-n-isopropylacetamide2-CHLORO-N-(2-((4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL)AMINO)-2-OXOETHYL)-N-ISOPROPYLACETAMIDEMLS000770809
Show more names
CHEMBL1506210DTXSID301116297HMS2708A05AKOS030698816SMR000344080EN300-09516G38601SR-01000748909

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
433

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 · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes

Database identifiers

CAS
747411-16-1
PubChem CID
2103995
DTXSID
DTXSID301116297
ChEMBL
CHEMBL1506210
EC Number
963-363-2