49790645 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 17 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 6 7 7 7 8 8 10 10 12 12 13 13 14 15 15 16 16 16 17 17 18 18 19 19 20 20 21 21 22 22 24 24 25 25 26 23 6 9 11 11 15 16 9 14 7 11 27 8 28 29 9 10 12 13 17 18 14 30 31 19 20 32 33 34 21 35 22 36 24 37 25 38 23 39 23 40 26 41 26 42 43 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 6 2 7 11 27 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 2.866 4.6783 6.7619 6.7619 2.866 5.2619 4.6783 3.732 3.732 2.866 6.2619 2.866 2 2 7.7619 6.2619 3.732 2 8.2619 8.2619 3.732 2 2.866 9.2619 9.2619 9.7619 5.5436 5.2156 4.4272 1.4631 1.4631 5.7249 5.9519 6.7988 4.269 1.4631 7.9519 7.9519 4.269 1.4631 9.5719 9.5719 10.3819 3.366 -2.4387 -0.7679 -2.5 -2.634 -1.634 -0.8292 -1.134 -2.134 -0.634 -1.634 0.366 -1.134 -2.134 -2.5 -3.366 0.866 0.866 -3.366 -1.634 1.866 1.866 2.366 -3.366 -1.634 -2.5 -2.1863 -0.52 -0.2623 -0.824 -2.444 -3.056 -3.903 -3.676 0.556 0.556 -3.903 -1.097 2.176 2.176 -3.903 -1.097 -2.5 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 8 8 10 12 12 13 15 15 17 18 19 20 21 22 24 25 9 14 11 9 10 13 17 18 14 19 20 21 22 24 25 23 23 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 488 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000400000000000000000000000001200000003C608000000000005801D000001E02000000000C1EE19A263EC493081400A8023577540282882031272008D8217C6E980E2672C5B39F8F3828E4C611D8E807B8DDF28E84000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-chlorophenyl)-N-methyl-N-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-chlorophenyl)-N-methyl-N-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-chlorophenyl)-<I>N</I>-methyl-<I>N</I>-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-chlorophenyl)-N-methyl-N-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-chlorophenyl)-N-methyl-N-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-chlorophenyl)-N-methyl-N-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H17ClN2O2/c1-24(16-5-3-2-4-6-16)21(25)19-13-18-17(11-12-23-20(18)26-19)14-7-9-15(22)10-8-14/h2-12,19H,13H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZGCPXPLSQLKLNK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.0978555 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H17ClN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C1=CC=CC=C1)C(=O)C2CC3=C(C=CN=C3O2)C4=CC=C(C=C4)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C1=CC=CC=C1)C(=O)C2CC3=C(C=CN=C3O2)C4=CC=C(C=C4)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 42.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.0978555 26 1 0 1 0 0 0 0 1 -1