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

C₉H₇ClF₃NO₂CAS 175278-36-1253.61 g/mol

Open in Covalent MOL file

Alkyl halide Amide Aryl halide Ether

Properties

Molecular formula: C₉H₇ClF₃NO₂
Molar mass: 253.61 g/mol
Exact mass: 253.0117 Da
logP: 3.20Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

175278-36-1

SMILES

CC(=O)NC1=C(C=C(C=C1)Cl)OC(F)(F)F

InChIKey

RIYOBXWNWKZLSR-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClF3NO2/c1-5(15)14-7-3-2-6(10)4-8(7)16-9(11,12)13/h2-4H,1H3,(H,14,15)

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

Names and synonyms

1 names

4'-Chloro-2'-(trifluoromethoxy)acetanilide

Work with N-(4-Chloro-2-(trifluoromethoxy)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

N-(2-Chloro-4-(trifluoromethyl)phenyl)acetamide247170-19-048 % similar 4-Chloro-2-(trifluoromethoxy)aniline175205-77-348 % similar 1,3-Dichloro-4-(trifluoromethoxy)benzene451-85-447 % similar 2'-(Trifluoromethoxy)acetophenone220227-93-040 % similar 2-(Trifluoromethoxy)chlorobenzene450-96-440 % similar 1-Chloro-3-(trifluoromethoxy)benzene772-49-640 % similar 5-Chloro-2,2-difluoro-1,3-benzodioxole72769-08-539 % similar 4-Acetamido-3-chlorobenzenesulfonyl chloride16761-18-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate128073-16-5 2-Chloro-N-[4-(trifluoromethoxy)phenyl]acetamide161290-85-3

Elsewhere

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