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

C₉H₇ClF₃NO₂CAS 161290-85-3253.61 g/mol

Open in Covalent MOL file

Alkyl halide Amide Ether

Properties

Molecular formula: C₉H₇ClF₃NO₂
Molar mass: 253.61 g/mol
Exact mass: 253.0117 Da
logP: 2.76Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

161290-85-3

SMILES

C1=CC(=CC=C1NC(=O)CCl)OC(F)(F)F

InChIKey

MIWYZHHKNDZBCB-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClF3NO2/c10-5-8(15)14-6-1-3-7(4-2-6)16-9(11,12)13/h1-4H,5H2,(H,14,15)

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Names and synonyms

1 names

N-(Chloroacetyl)-4-(trifluoromethoxy)aniline

Work with 2-Chloro-N-[4-(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

2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-262 % similar N-(Chloroacetyl)-4-(trifluoromethyl)aniline2707-23-562 % similar 2-Chloro-N-(4-fluorophenyl)acetamide351-04-258 % similar N-(4-Chlorophenyl)-2-chloroacetamide3289-75-655 % similar 2-Chloro-N-(4-methylphenyl)acetamide16634-82-554 % similar N-(4-Bromophenyl)-2-chloroacetamide2564-02-554 % similar 1-(4-(Trifluoromethoxy)phenyl)-2-thiourea142229-74-150 % similar 2-Chloro-N-(4-isopropylphenyl)acetamide1527-61-350 % 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 N-(4-Chloro-2-(trifluoromethoxy)phenyl)acetamide175278-36-1

Elsewhere

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