55933238 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 9 9 9 8 8 8 7 7 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 2 3 4 4 5 6 7 7 7 8 8 8 9 9 9 9 10 10 11 11 12 14 14 15 15 16 16 17 17 18 18 19 19 21 21 22 23 24 24 25 25 26 26 27 27 28 28 29 30 30 30 20 30 13 23 11 13 33 12 23 38 10 13 31 32 14 15 12 16 17 18 34 19 35 21 36 22 37 20 39 20 40 22 41 42 24 25 26 27 43 28 44 29 45 29 46 47 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 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 2.366 2 3.366 3.732 8.0622 12.3923 8.9282 10.6603 7.1962 6.3301 9.7942 10.6603 8.0622 6.3301 5.4641 9.7942 11.5263 5.4641 4.5981 4.5981 10.6603 11.5263 11.5263 11.5263 12.3923 10.6603 12.3923 10.6603 11.5263 2.866 7.5947 6.7976 8.9282 6.8671 5.4641 9.2573 12.0632 10.1233 5.4641 4.0611 10.6603 12.0632 12.9292 10.1233 12.9292 10.1233 11.5263 -3.433 -2.067 -1.701 -3.067 -2.567 -0.067 -1.067 -0.067 -1.067 -1.567 -1.567 -1.067 -1.567 -2.567 -1.067 -2.567 -1.567 -3.067 -1.567 -2.567 -3.067 -2.567 0.433 1.433 1.933 1.933 2.933 2.933 3.433 -2.567 -0.592 -0.592 -0.447 -2.877 -0.447 -2.877 -1.257 0.243 -3.687 -1.257 -3.687 -2.877 1.623 1.623 3.243 3.243 4.053 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 11 11 12 14 15 16 17 18 19 21 24 24 25 26 27 28 14 15 12 16 17 18 19 21 22 20 20 22 25 26 27 28 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 571 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B31800000000000000000000000000000000000003060C0000000000000015000001F00100000000C0C81981030C682C00400880225525000820800252200088801067CC80C6632C4B59B94312864D411C8E98798C8808E20000000000000204000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[[1-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]amino]phenyl]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[2-[4-(trifluoromethyloxy)phenyl]ethanoylamino]phenyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H17F3N2O3/c23-22(24,25)30-17-12-10-15(11-13-17)14-20(28)26-18-8-4-5-9-19(18)27-21(29)16-6-2-1-3-7-16/h1-13H,14H2,(H,26,28)(H,27,29) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SGTKNRSIEOKFTB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 414.11912689 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H17F3N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 414.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)OC(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)OC(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 67.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 414.11912689 30 0 0 0 0 0 0 0 1 -1