[Synonyms]
[Structure]
![N-[(2R)-2-dimethylamino-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl],](/file/upload/dataimg/254/2539120.png)
[ Properties Computed from Structure]
[ 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
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 350.37805 [g/mol] |
| Molecular Formula | C19H21F3N2O |
| XLogP | 3.8 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 5 |
| Rotatable Bond Count | 6 |
| Tautomer Count | 2 |
| Exact Mass | 350.160598 |
| MonoIsotopic Mass | 350.160598 |
| Topological Polar Surface Area | 32.3 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 419 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 1 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ 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
