C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C(F)(F)F
CAS: 414900-00-8
Name: phenacyl 3-[(2,2,2-trifluoroacetyl)amino]benzoate
SMILES: C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C(F)(F)F

Molecular Processing

Molecular formula
C17H12F3NO4
Molecular weight
351.28
Exact mass
351.0718
XLogP
3.23
TPSA
72.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
82.18

Supplementary Information

InChIKey: KEPNUSGYBWUVGM-UHFFFAOYSA-N
Synonyms
2-oxo-2-phenylethyl 3-[(trifluoroacetyl)amino]benzoateTimTec1_006627SCHEMBL711796Phenacyl 3-[(2,2,2-trifluoroacetyl)amino]benzoateHMS1552N05STK2676853-(2,2,2-Trifluoro-acetylamino)-benzoic acid 2-oxo-2-phenyl-ethyl esterAKOS000748484ST50001028AG-690/087930052-oxo-2-phenylethyl 3-(2,2,2-trifluoroacetylamino)benzoate2-OXO-2-PHENYLETHYL 3-(2,2,2-TRIFLUOROACETAMIDO)BENZOATE414900-00-8
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Involved in 9 reactions→

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