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Home > Fluorides > 1198785-54-4
1198785-54-4 | Benzamide, 5-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4,4,4-trifluoro-1,1-dimethyl-3-oxobutyl)-
CAS No: 1198785-54-4 Catalog No: AG000PT5 MDL No:
Product Description
Catalog Number:
AG000PT5
Chemical Name:
Benzamide, 5-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4,4,4-trifluoro-1,1-dimethyl-3-oxobutyl)-
CAS Number:
1198785-54-4
Molecular Formula:
C22H23F4NO3
Molecular Weight:
425.4165
IUPAC Name:
5-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(5,5,5-trifluoro-2-methyl-4-oxopentan-2-yl)benzamide
InChI:
InChI=1S/C22H23F4NO3/c1-13(14-5-8-16(30-4)9-6-14)27-20(29)17-11-15(23)7-10-18(17)21(2,3)12-19(28)22(24,25)26/h5-11,13H,12H2,1-4H3,(H,27,29)/t13-/m0/s1
InChI Key:
AUCRHOPAPWGXID-ZDUSSCGKSA-N
SMILES:
COc1ccc(cc1)[C@@H](NC(=O)c1cc(F)ccc1C(CC(=O)C(F)(F)F)(C)C)C
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
425.161g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
425.424g/mol
Monoisotopic Mass:
425.161g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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