n-[4-Chloro-3-(trifluoromethyl)phenyl]acetamide

HCID 67676
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Basic information

CAS
348-90-3
Standard SMILES
CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIKey
LWEJZUHNFUXTEC-UHFFFAOYSA-N
Molecular formula
C9H7ClF3NO
Average molar mass
237.6 g/mol
Monoisotopic mass
237.01682618

Names & identifiers

Preferred name
n-[4-Chloro-3-(trifluoromethyl)phenyl]acetamide
IUPAC
N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
English name
Acetamide, N-(4-chloro-3-(trifluoromethyl)phenyl)-
Molecular formula
C9H7ClF3NO
Molecular weight
237.61

Names & synonyms

348-90-3n-[4-chloro-3-(trifluoromethyl)phenyl]acetamideN-(4-Chloro-3-(trifluoromethyl)phenyl)acetamideAcetamide, N-(4-chloro-3-(trifluoromethyl)phenyl)-MFCD004769954-Chloro-3-(trifluoromethyl)acetanilideAcetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-NSC53667Regorafenib Impurity JSCHEMBL462753DTXSID301883403-acetamido-6-chlorobenzotrifluoride
Show more names
SM1-ZA01Regorafenib impurity 04N-(4-chloro-3-(trifluoromethyl)phenyl)-
NSC 53667NSC-53667AKOS002953844DB-342166ST51007816H69194

Database identifiers

CAS
348-90-3
PubChem CID
67676
DTXSID
DTXSID30188340
Nikkaji
J1.604.652C

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
15

Experimental & physicochemical properties

LogP3.33

Physicochemical properties

Boiling point
328.9 · 328.9±42.0 °C(Predicted)
Density
1.414 · 1.414±0.06 g/cm3(Predicted)
pka
13.7 · 13.70±0.70(Predicted)

Chemistry & industry

Suppliers19 total

安礼特（上海）医药科技有限公司18109805911 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
安徽合诺生物科技有限公司18455579438

Related reactions

6 records
New reaction record

Compound notes

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CAS 348-90-3 n-[4-Chloro-3-(trifluoromethyl)phenyl]acetamide (HCID 67676)｜Huagongshe