N-[4-Iodo-2-(trifluoromethyl)phenyl]acetamide

C9H7F3INOCAS 97760-98-0329.06 g/mol

Open in Covalent MOL file
OHNIFFF
Alkyl halideAryl halide

Properties

Molecular formula
C9H7F3INO
Molar mass
329.06 g/mol
Exact mass
328.9524 Da
Melting point
132 °C
logP
3.92Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
97760-98-0
SMILES
CC(O)=Nc1ccc(I)cc1C(F)(F)F
InChIKey
DLROSNQUSLJYBU-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3INO/c1-5(15)14-8-3-2-6(13)4-7(8)9(10,11)12/h2-4H,1H3,(H,14,15)

Weigh it out

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

Names and synonyms

2 names
  • Acetamide, N-[4-iodo-2-(trifluoromethyl)phenyl]-
  • N-(4-Iodo-2-(trifluoromethyl)phenyl)acetamide

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

N-[2-(Trifluoromethyl)phenyl]acetamide344-62-761 % similar N-(4-Amino-3-(trifluoromethyl)phenyl)acetamide1579-89-147 % similar N-[4-Bromo-3-(trifluoromethyl)phenyl]acetamide41513-05-747 % similar 2-Chloro-5-iodobenzotrifluoride260355-20-245 % similar N-[4-(Trifluoromethyl)phenyl]acetamide349-97-344 % similar N-[3-(Trifluoromethyl)phenyl]acetamide351-36-043 % similar 4-Iodo-2-(trifluoromethyl)benzonitrile101066-87-942 % similar N-(2,4-Difluorophenyl)acetamide399-36-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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