chempirical

N-(4-Methoxybenzyl)-4-chloro-2-(trifluoroacetyl)aniline

C16H13ClF3NO2CAS 173676-54-5343.73 g/mol

Open in Covalent MOL file
OHNClOFFF
Alkyl halideAryl halideEtherKetoneSecondary amine

Properties

Molecular formula
C16H13ClF3NO2
Molar mass
343.73 g/mol
Exact mass
343.0587 Da
logP
4.71Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
173676-54-5
SMILES
COC1=CC=C(C=C1)CNC2=C(C=C(C=C2)Cl)C(=O)C(F)(F)F
InChIKey
BLTYAJPHEPYMJK-UHFFFAOYSA-N
InChI
InChI=1S/C16H13ClF3NO2/c1-23-12-5-2-10(3-6-12)9-21-14-7-4-11(17)8-13(14)15(22)16(18,19)20/h2-8,21H,9H2,1H3

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Names and synonyms

1 names
  • 4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline

Work with N-(4-Methoxybenzyl)-4-chloro-2-(trifluoroacetyl)aniline

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

4-Chloro-2-(trifluoroacetyl)aniline hydrochloride173676-59-045 % similar 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-937 % similar Bis(4-methoxybenzyl)amine17061-62-037 % similar 4-Chloroanisole623-12-136 % similar N-Methyl-4-methoxybenzylamine702-24-935 % similar 4-Methoxybenzeneacetyl chloride4693-91-835 % similar 5-Chloro-2-methoxybenzoic acid3438-16-235 % similar 1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone130336-16-235 % similar

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

Elsewhere

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