N-(4-Amino-3-(trifluoromethyl)phenyl)acetamide

C9H9F3N2OCAS 1579-89-1218.18 g/mol

Open in Covalent MOL file
OHNNH2FFF
Alkyl halidePrimary amine

Properties

Molecular formula
C9H9F3N2O
Molar mass
218.18 g/mol
Exact mass
218.0667 Da
Melting point
118–119 °C
logP
2.90Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 2
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, 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
1579-89-1
SMILES
CC(O)=Nc1ccc(N)c(C(F)(F)F)c1
InChIKey
QMCLCXKXDXBQLB-UHFFFAOYSA-N
InChI
InChI=1S/C9H9F3N2O/c1-5(15)14-6-2-3-8(13)7(4-6)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)

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Names and synonyms

5 names
  • N-[4-Amino-3-(trifluoromethyl)phenyl]acetamide
  • Acetamide, N-[4-amino-3-(trifluoromethyl)phenyl]-
  • m-Acetotoluidide, 4′-amino-α,α,α-trifluoro-
  • α,α,α-Trifluoro-4′-amino-m-acetotoluidide
  • 2-Amino-5-acetamidobenzotrifluoride

Work with N-(4-Amino-3-(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-[4-Bromo-3-(trifluoromethyl)phenyl]acetamide41513-05-765 % similar N-[3-(Trifluoromethyl)phenyl]acetamide351-36-057 % similar N-[4-(Trifluoromethyl)phenyl]acetamide349-97-355 % similar N-(3-Amino-4-chlorophenyl)acetamide51867-83-554 % similar 5-Acetamidoanthranilic acid50670-83-253 % similar N-(3-Amino-4-methoxyphenyl)acetamide6375-47-952 % similar 5-Acetamido-2-aminobenzenesulfonic acid96-78-651 % similar 4-Amino-3-(trifluoromethyl)benzoic acid400-76-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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