53383141 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 52 53 54 55 56 9 8 8 7 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 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 10 10 11 11 12 12 12 13 13 13 14 14 14 15 16 17 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 27 28 28 29 29 30 30 31 31 32 18 9 15 7 11 15 8 9 34 16 17 9 10 33 12 13 14 18 19 16 20 35 36 37 38 39 40 41 42 43 17 21 22 24 25 44 23 45 26 46 28 29 26 47 27 48 27 49 50 51 30 52 31 53 32 54 32 55 56 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 7 4 9 10 33 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 52 53 54 55 56 5.032 2.934 6.3981 4.666 3.8 4.666 4.666 2.934 3.8 5.5321 3.8 2.068 3.434 2.434 5.5321 3.8 5.5321 5.5321 6.3981 2.9061 2.9061 6.3981 2 6.3981 7.2641 2 7.2641 7.2641 6.3981 8.1301 7.2641 8.1301 4.1291 4.11 1.758 1.531 2.378 2.897 3.744 3.9709 2.9709 2.124 1.897 6.3981 2.9132 2.9132 1.4643 6.3981 7.801 1.4643 7.801 7.2641 5.8612 8.6671 7.2641 8.6671 -3.183 -0.817 0.183 0.183 -2.317 2.183 -0.817 -2.817 -1.317 -1.317 0.683 -3.317 -3.683 -1.951 0.683 1.683 1.683 -2.317 -0.817 0.1484 2.2177 2.183 0.6622 -2.817 -1.317 1.7038 -2.317 1.683 3.183 2.183 3.683 3.183 -0.507 -2.8539 -2.78 -3.627 -3.8539 -3.993 -4.22 -3.373 -1.641 -1.414 -2.261 -0.197 -0.4716 2.8376 0.3501 -3.437 -1.007 2.0159 -2.627 1.063 3.493 1.873 4.303 3.493 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 10 10 11 11 15 16 18 19 20 21 22 22 23 24 25 28 29 30 31 11 15 16 17 9 18 19 16 20 17 21 24 25 23 26 28 29 26 27 27 30 31 32 32 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 725 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B31000000000000000000000000000000000000003060C1000000000000815000001F00100000000CA8C1980C32C083C00000A80325725400820000210200088801A874980860B2C095B1942008609600C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-tert-butyl-2-(2-fluorophenyl)-2-(2-oxo-3-phenyl-quinoxalin-1-yl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-tert-butyl-2-(2-fluorophenyl)-2-(2-oxo-3-phenyl-1-quinoxalinyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-<I>tert</I>-butyl-2-(2-fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-tert-butyl-2-(2-fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-tert-butyl-2-(2-fluorophenyl)-2-(2-oxidanylidene-3-phenyl-quinoxalin-1-yl)ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-tert-butyl-2-(2-fluorophenyl)-2-(2-keto-3-phenyl-quinoxalin-1-yl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C26H24FN3O2/c1-26(2,3)29-24(31)23(18-13-7-8-14-19(18)27)30-21-16-10-9-15-20(21)28-22(25(30)32)17-11-5-4-6-12-17/h4-16,23H,1-3H3,(H,29,31) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CJHULAXGNZAVBE-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 2021.05.07 429.18525518 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C26H24FN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 429.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C)NC(=O)C(C1=CC=CC=C1F)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C)NC(=O)C(C1=CC=CC=C1F)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 61.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 429.18525518 32 1 0 1 0 0 0 0 1 -1