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

C₉H₇F₃INOCAS 97760-98-0329.06 g/mol

Open in Covalent MOL file

Alkyl halide Aryl 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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)

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Names and synonyms

1 names

Acetamide, N-[4-iodo-2-(trifluoromethyl)phenyl]-

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 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 N-(4-Bromo-2-methylphenyl)acetamide24106-05-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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