46942924 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 5 5 5 6 6 6 6 7 7 8 8 10 10 12 12 13 13 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 23 24 24 25 7 9 11 9 14 11 17 31 7 8 26 27 11 28 9 10 12 13 15 16 14 29 30 18 32 19 33 21 22 20 34 20 35 38 23 36 24 37 25 39 25 40 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 7 2 6 11 28 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 10.7619 4.6783 6.7619 2.866 6.7619 4.6783 5.2619 3.732 3.732 2.866 6.2619 2.866 2 2 3.732 2 7.7619 3.732 2 2.866 8.2619 8.2619 9.2619 9.2619 9.7619 5.2156 4.4272 5.5436 1.4631 1.4631 6.4519 4.269 1.4631 4.269 1.4631 7.9519 7.9519 2.866 9.5719 9.5719 -2 -1.9387 -0.2679 -2.134 -2 -0.3292 -1.134 -0.634 -1.634 -0.134 -1.134 0.866 -0.634 -1.634 1.366 1.366 -2 2.366 2.366 2.866 -2.866 -1.134 -2.866 -1.134 -2 -0.02 0.2377 -1.6863 -0.324 -1.944 -2.5369 1.056 1.056 2.676 2.676 -3.403 -0.597 3.486 -3.403 -0.597 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 8 8 10 12 12 13 15 16 17 17 18 19 21 22 23 24 9 14 11 9 10 13 15 16 14 18 19 21 22 20 20 23 24 25 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 461 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 1 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 00000371C07B30000400000000000000000000000001200000003C608000000000005801D000001E02100000000C1EE19A263CC492C81400A8023577540282882031272008D8217C6E980E2672C5B39F8F3828E4D411D8E807B8DDF28E80004000000000000000800000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-chlorophenyl)-4-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 N-(4-chlorophenyl)-4-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 <I>N</I>-(4-chlorophenyl)-4-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 N-(4-chlorophenyl)-4-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 N-(4-chlorophenyl)-4-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 N-(4-chlorophenyl)-4-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H15ClN2O2/c21-14-6-8-15(9-7-14)23-19(24)18-12-17-16(10-11-22-20(17)25-18)13-4-2-1-3-5-13/h1-11,18H,12H2,(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MHZPFWIKZPWGGV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.0822054 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H15ClN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(OC2=NC=CC(=C21)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(OC2=NC=CC(=C21)C3=CC=CC=C3)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 51.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.0822054 25 1 0 1 0 0 0 0 1 -1