N-(2-Chloro-4-(trifluoromethyl)phenyl)acetamide

C9H7ClF3NOCAS 247170-19-0237.61 g/mol

Open in Covalent MOL file
OHNFFFCl
Alkyl halideAmideAryl halide

Properties

Molecular formula
C9H7ClF3NO
Molar mass
237.61 g/mol
Exact mass
237.0168 Da
logP
3.32Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
247170-19-0
SMILES
CC(=O)NC1=C(C=C(C=C1)C(F)(F)F)Cl
InChIKey
QRMZQPODCUCPQD-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 2-Chloro-4-(trifluoromethyl)acetanilide

Work with N-(2-Chloro-4-(trifluoromethyl)phenyl)acetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-[2-Chloro-4-(trifluoromethyl)phenyl]hydrazine86398-98-356 % similar 4-Acetamido-3-chlorobenzenesulfonyl chloride16761-18-553 % similar 3',5'-Bis(trifluoromethyl)acetanilide16143-84-353 % similar 2'-Chloro-5'-(trifluoromethyl)acetophenone71648-45-851 % similar 3,4-Dichlorobenzotrifluoride328-84-749 % similar N-(4-Chloro-2-(trifluoromethoxy)phenyl)acetamide175278-36-148 % similar 2-Chloro-4-trifluoromethylbenzoic acid23228-45-748 % similar 1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)ethanone175205-88-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(Chloroacetyl)-4-(trifluoromethyl)aniline2707-23-5 2-Chloro-N-(3-(trifluoromethyl)phenyl)acetamide351-38-2 N-(Chloroacetyl)-2-(trifluoromethyl)aniline3792-04-9

Elsewhere

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