49786562 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 17 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 6 6 6 7 7 7 8 8 8 8 9 9 10 10 12 12 14 14 15 15 16 17 17 18 18 19 20 20 21 21 22 23 23 24 24 25 25 26 26 28 29 29 29 27 9 11 13 28 11 16 13 20 36 19 28 40 9 10 30 31 13 32 11 12 14 15 17 18 16 33 34 19 35 21 37 22 23 24 22 38 39 25 41 26 42 27 43 27 44 29 45 46 47 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 2 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 9 2 8 13 32 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 10.7619 4.6783 6.7619 3.732 2.866 6.7619 4.5981 4.6783 5.2619 3.732 3.732 2.866 6.2619 2.866 2 2 3.732 2 3.732 7.7619 2 2.866 8.2619 8.2619 9.2619 9.2619 9.7619 4.5981 5.4641 5.2156 4.4272 5.5436 1.4631 1.4631 4.269 6.4519 1.4631 1.4631 2.866 5.135 7.9519 7.9519 9.5719 9.5719 5.7741 6.001 5.1541 -2.75 -2.6887 -1.018 3.616 -2.884 -2.75 2.116 -1.0792 -1.884 -1.384 -2.384 -0.884 -1.884 0.116 -1.384 -2.384 0.616 0.616 1.616 -2.75 1.616 2.116 -1.884 -3.616 -1.884 -3.616 -2.75 3.116 3.616 -0.77 -0.5123 -2.4363 -1.074 -2.694 0.306 -3.2869 0.306 1.926 2.736 1.806 -1.347 -4.153 -1.347 -4.153 3.0791 3.926 4.153 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 9 10 10 12 14 14 15 17 18 19 20 20 21 23 24 25 26 11 16 13 11 12 15 17 18 16 19 21 22 23 24 22 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 596 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000400000000000000000000000001200000003C608000000000005801D000001E02100000000C1EE19A263EC492C81400A8023577540282882031272008D8217C6E980E2672C5B39F8F3828E4D411D8E807B8DDF28E80004040000000000000808000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3-acetamidophenyl)-N-(4-chlorophenyl)-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-(3-acetamidophenyl)-N-(4-chlorophenyl)-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-(3-acetamidophenyl)-<I>N</I>-(4-chlorophenyl)-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-(3-acetamidophenyl)-N-(4-chlorophenyl)-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-(3-acetamidophenyl)-N-(4-chlorophenyl)-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-(3-acetamidophenyl)-N-(4-chlorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H18ClN3O3/c1-13(27)25-17-4-2-3-14(11-17)18-9-10-24-22-19(18)12-20(29-22)21(28)26-16-7-5-15(23)6-8-16/h2-11,20H,12H2,1H3,(H,25,27)(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SEDUWJDYSPXFRE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 407.1036691 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H18ClN3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 407.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1=CC=CC(=C1)C2=C3CC(OC3=NC=C2)C(=O)NC4=CC=C(C=C4)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1=CC=CC(=C1)C2=C3CC(OC3=NC=C2)C(=O)NC4=CC=C(C=C4)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 80.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 407.1036691 29 1 0 1 0 0 0 0 1 -1