57294357 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 9 9 9 9 9 9 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 6 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 14 15 15 16 19 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 26 28 28 29 29 30 30 31 31 17 17 17 18 18 18 27 32 51 24 27 46 13 14 15 14 16 17 13 16 18 33 34 19 20 35 36 37 38 21 39 22 40 23 41 25 26 28 29 27 42 43 44 45 30 47 31 48 32 49 32 50 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 15 10 19 20 21 39 3 1 21 20 40 22 23 41 3 1 23 22 26 25 27 42 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 5.5981 4.5981 3.5981 2 3.366 2.366 9.7942 12.3923 8.9282 5.4641 4.5981 3.732 4.5981 5.4641 6.3301 3.732 4.5981 2.866 7.1962 6.3301 7.1962 7.1962 8.0622 9.7942 8.0622 8.9282 8.9282 9.7942 10.6603 10.6603 11.5263 11.5263 4.5981 6.001 3.1951 7.5062 7.7331 6.8862 5.7932 7.7331 6.6592 7.5252 9.2382 9.4651 8.6182 8.3913 9.2573 10.6603 10.6603 12.0632 12.3923 5.06 6.06 5.06 1.56 1.194 2.926 -1.94 -5.44 -3.44 2.56 4.06 2.56 2.06 3.56 2.06 3.56 5.06 2.06 2.56 1.06 0.56 -0.44 -0.94 -3.94 -1.94 -0.44 -2.44 -4.94 -3.44 -5.44 -3.94 -4.94 1.44 3.87 3.87 2.0231 2.87 3.0969 0.75 0.87 -0.75 -2.25 -0.9769 -0.13 0.0969 -3.75 -5.25 -2.82 -6.06 -3.63 -6.06 8 8 8 8 8 8 1 1 1 8 8 8 8 8 8 10 10 11 11 12 12 15 21 23 24 24 28 29 30 31 13 14 14 16 13 16 20 22 25 28 29 30 31 32 32 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 708 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A31C0000000000000000000000000000000000000306000000000000000014000001F00100800000C0C81981032C682C00200880225525000820000212200088800066CC8082622C2919384700864D411C8D907B0C0C00E00400200000000000080040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-[3,5-bis(trifluoromethyl)phenyl]-N-(4-hydroxyphenyl)-3-methyl-octa-2,4,6-trienamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-[3,5-bis(trifluoromethyl)phenyl]-N-(4-hydroxyphenyl)-3-methylocta-2,4,6-trienamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-[3,5-bis(trifluoromethyl)phenyl]-<I>N</I>-(4-hydroxyphenyl)-3-methylocta-2,4,6-trienamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-[3,5-bis(trifluoromethyl)phenyl]-N-(4-hydroxyphenyl)-3-methylocta-2,4,6-trienamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-[3,5-bis(trifluoromethyl)phenyl]-N-(4-hydroxyphenyl)-3-methyl-octa-2,4,6-trienamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-[3,5-bis(trifluoromethyl)phenyl]-N-(4-hydroxyphenyl)-3-methyl-octa-2,4,6-trienamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H19F6NO2/c1-14(10-21(32)30-19-6-8-20(31)9-7-19)4-3-5-15(2)16-11-17(22(24,25)26)13-18(12-16)23(27,28)29/h3-13,31H,1-2H3,(H,30,32) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UBQUTNMAEIPAMS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 7.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 455.13199782 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H19F6NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 455.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=CC(=O)NC1=CC=C(C=C1)O)C=CC=C(C)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=CC(=O)NC1=CC=C(C=C1)O)C=CC=C(C)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 455.13199782 32 0 0 0 3 0 3 0 1 -1