56593335 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 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 6 1 1 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 10 10 11 11 12 12 12 14 14 15 15 17 18 18 18 19 20 20 21 21 22 23 23 24 24 25 26 26 27 27 29 30 30 30 31 31 31 28 28 28 17 30 13 16 9 16 32 11 13 33 10 14 13 15 19 20 16 17 23 21 34 22 35 26 19 24 28 36 25 37 22 38 39 27 40 25 41 42 29 43 29 44 45 31 46 47 48 49 50 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 2 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 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 48 49 50 4 3 2 9.9282 5.5981 9.0622 7.3301 4.732 7.3301 6.4641 3.866 8.1962 5.5981 8.1962 6.4641 8.1962 9.0622 3 3.866 3 8.1962 7.3301 7.3301 2.134 2.134 9.0622 7.3301 3 8.1962 10.7942 11.6603 6.7932 4.732 8.7331 5.9272 4.403 3 8.7331 7.3301 6.7932 1.597 1.597 9.5991 6.7932 8.1962 11.1928 10.3957 11.3503 12.1972 11.9703 1.25 2.25 1.25 1.25 -0.25 -0.25 -0.25 -1.75 -1.25 -1.75 -1.25 1.25 -1.25 -1.75 -2.75 0.25 1.75 0.25 -0.25 -1.75 -2.75 -3.25 1.75 -0.25 -1.25 2.75 2.75 1.25 3.25 1.75 1.25 0.06 -2.37 -1.44 -3.06 0.06 -2.37 -3.06 -3.87 1.44 0.06 -1.56 3.06 3.06 3.87 2.225 2.225 0.7131 0.94 1.7869 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 11 11 12 12 14 15 17 18 18 20 21 23 24 26 27 10 14 15 19 20 17 23 21 22 26 19 24 25 22 27 25 29 29 0 Compound Canonicalized 5 2012.01.18 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 613 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 00000371E07B31800000000000000000000000000000000000003060C0000000000000015000001F00100000000C0CA1981232C682C00400880225525000820800252200088801066CC80C263EC4F59B8639E8E6F411C8E9C798C8208E00000040000A00000000008000140000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[(2-ethoxyphenyl)-oxomethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-ethoxybenzoyl)amino]-<I>N</I>-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-ethoxyphenyl)carbonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H19F3N2O3/c1-2-31-20-13-6-4-11-18(20)22(30)28-19-12-5-3-10-17(19)21(29)27-16-9-7-8-15(14-16)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HMUUFDCCBCUQAV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 428.13477696 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H19F3N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 428.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(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 2021.05.07 428.13477696 31 0 0 0 0 0 0 0 1 -1