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Home > Fluorides > 1197811-72-5
1197811-72-5 | Benzenepentanamide, 4-fluoro-N-(4-fluorophenyl)-δ-hydroxy-α-[(4-hydroxyphenyl)methyl]-, (αR,δS)-
CAS No: 1197811-72-5 Catalog No: AG000PN2 MDL No:
Product Description
Catalog Number:
AG000PN2
Chemical Name:
Benzenepentanamide, 4-fluoro-N-(4-fluorophenyl)-δ-hydroxy-α-[(4-hydroxyphenyl)methyl]-, (αR,δS)-
CAS Number:
1197811-72-5
Molecular Formula:
C24H23F2NO3
Molecular Weight:
411.4411
IUPAC Name:
(2R,5S)-N,5-bis(4-fluorophenyl)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]pentanamide
InChI:
InChI=1S/C24H23F2NO3/c25-19-6-3-17(4-7-19)23(29)14-5-18(15-16-1-12-22(28)13-2-16)24(30)27-21-10-8-20(26)9-11-21/h1-4,6-13,18,23,28-29H,5,14-15H2,(H,27,30)/t18-,23+/m1/s1
InChI Key:
CJMGACWDXHCPAC-JPYJTQIMSA-N
SMILES:
Oc1ccc(cc1)C[C@H](C(=O)Nc1ccc(cc1)F)CC[C@@H](c1ccc(cc1)F)O
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
411.165g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
411.449g/mol
Monoisotopic Mass:
411.165g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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