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Home > Fluorides > 1005450-55-4
1005450-55-4 | Benzenepropanamide, N-[(1R)-1-(1-naphthalenyl)ethyl]-3-(trifluoromethyl)-
CAS No: 1005450-55-4 Catalog No: AG0002AY MDL No:MFCD18207041
Product Description
Catalog Number:
AG0002AY
Chemical Name:
Benzenepropanamide, N-[(1R)-1-(1-naphthalenyl)ethyl]-3-(trifluoromethyl)-
CAS Number:
1005450-55-4
Molecular Formula:
C22H20F3NO
Molecular Weight:
371.3955
MDL Number:
MFCD18207041
IUPAC Name:
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide
InChI:
InChI=1S/C22H20F3NO/c1-15(19-11-5-8-17-7-2-3-10-20(17)19)26-21(27)13-12-16-6-4-9-18(14-16)22(23,24)25/h2-11,14-15H,12-13H2,1H3,(H,26,27)/t15-/m1/s1
InChI Key:
GDEHAOJGPHEOSO-OAHLLOKOSA-N
SMILES:
O=C(N[C@@H](c1cccc2c1cccc2)C)CCc1cccc(c1)C(F)(F)F
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
371.15g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.403g/mol
Monoisotopic Mass:
371.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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