49790285 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 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 2 3 3 4 5 5 6 6 6 7 7 7 7 8 8 9 9 11 11 13 13 14 14 15 16 16 17 17 18 18 19 19 20 20 22 22 23 23 24 24 25 25 21 26 8 10 12 10 15 12 18 32 8 9 27 28 12 29 10 11 13 14 16 17 15 30 31 19 33 20 34 22 23 21 35 21 36 24 37 25 38 26 39 26 40 1 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 2 1 2 1 1 1 8 3 7 12 29 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 2.866 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 2 3.732 7.7619 2 3.732 2.866 8.2619 8.2619 9.2619 9.2619 9.7619 5.2156 4.4272 5.5436 1.4631 1.4631 6.4519 1.4631 4.269 1.4631 4.269 7.9519 7.9519 9.5719 9.5719 3.366 -2.5 -2.4387 -0.7679 -2.634 -2.5 -0.8292 -1.634 -1.134 -2.134 -0.634 -1.634 0.366 -1.134 -2.134 0.866 0.866 -2.5 1.866 1.866 2.366 -3.366 -1.634 -3.366 -1.634 -2.5 -0.52 -0.2623 -2.1863 -0.824 -2.444 -3.0369 0.556 0.556 2.176 2.176 -3.903 -1.097 -3.903 -1.097 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 8 9 9 11 13 13 14 16 17 18 18 19 20 22 23 24 25 10 15 12 10 11 14 16 17 15 19 20 22 23 21 21 24 25 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 490 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 00000371C07B30000600000000000000000000000001200000003C608000000000005801D000001E02100000000C1EE19A263CC492C81400A8023577540282882031272008D8217C6E980E2672C5B39F8F3828E4D411D8E807B8DDF28E84004000000000000800800000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,4-bis(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 N,4-bis(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 <I>N</I>,4-bis(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 N,4-bis(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 N,4-bis(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 N,4-bis(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/C20H14Cl2N2O2/c21-13-3-1-12(2-4-13)16-9-10-23-20-17(16)11-18(26-20)19(25)24-15-7-5-14(22)6-8-15/h1-10,18H,11H2,(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FUSLNDZAPKZQSU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 384.0432331 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H14Cl2N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(OC2=NC=CC(=C21)C3=CC=C(C=C3)Cl)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=C(C=C3)Cl)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 2021.05.07 384.0432331 26 1 0 1 0 0 0 0 1 -1