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N-[(2R)-2-dimethylamino-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl],

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摘 要: N-[(2R)-2-dimethylamino-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl],acetamide,Canonical SMILES: CN(C)C(CNC(=O)CC1=CC(=CC=C1)C(F)(F)F)C2=CC=CC=C2,Isomeric SMILES: CN(C)[C@@H](CNC(=O)CC1=CC(=CC=C1)C(F)(F)F)C2=CC=CC=C2,InChI: InChI=1/C19H21F3N2O/c1-24
[Synonyms]

[Structure]
 N-[(2R)-2-dimethylamino-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl],

[ Properties Computed from Structure]
Molecular Weight350.37805 [g/mol]
Molecular FormulaC19H21F3N2O
XLogP3.8
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count2
Exact Mass350.160598
MonoIsotopic Mass350.160598
Topological Polar Surface Area32.3
Heavy Atom Count25
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[(2R)-2-dimethylamino-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]
acetamide
Canonical SMILES: CN(C)C(CNC(=O)CC1=CC(=CC=C1)C(F)(F)F)C2=CC=CC=C2
Isomeric SMILES: CN(C)[C@@H](CNC(=O)CC1=CC(=CC=C1)C(F)(F)F)C2=CC=CC=C2
InChI: InChI=1/C19H21F3N2O/c1-24(2)17(15-8-4-3-5-9-15)13-23-18(25)12-14-7-6-10-
16(11-14)19(20,21)22/h3-11,17H,12-13H2,1-2H3,(H,23,25)/t17-/m0/s1/f/h23H

 
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