49790741 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 19 20 20 21 21 22 22 23 23 25 25 26 27 28 29 29 29 24 9 11 13 28 11 16 13 17 34 25 28 44 9 10 30 31 13 32 11 12 14 15 18 19 16 33 35 22 23 20 36 21 37 24 40 24 41 26 38 27 39 26 27 42 43 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 2 1 1 1 2 1 2 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 2.866 4.6783 6.7619 10.7619 2.866 6.7619 10.7619 4.6783 5.2619 3.732 3.732 2.866 6.2619 2.866 2 2 7.7619 2 3.732 2 3.732 8.2619 8.2619 2.866 9.7619 9.2619 9.2619 11.2619 12.2619 5.2156 4.4272 5.5436 1.4631 6.4519 1.4631 1.4631 4.269 7.9519 7.9519 1.4631 4.269 9.5719 9.5719 11.0719 12.2619 12.8819 12.2619 3.799 -2.0057 -0.3349 -3.799 -2.201 -2.067 -2.067 -0.3962 -1.201 -0.701 -1.701 -0.201 -1.201 0.799 -0.701 -1.701 -2.067 1.299 1.299 2.299 2.299 -1.201 -2.933 2.799 -2.067 -1.201 -2.933 -2.933 -2.933 -0.087 0.1707 -1.7533 -0.391 -2.6039 -2.011 0.989 0.989 -0.664 -3.47 2.609 2.609 -0.664 -3.47 -1.53 -3.553 -2.933 -2.313 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 17 18 19 20 21 22 23 25 25 11 16 13 11 12 15 18 19 16 22 23 20 21 24 24 26 27 26 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 588 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 00000371E07B30000400000000000000000000000001200000003C608000000000005801D000001E02100000000C1EE19A263EC492C81400A8023577540282882031272008D8217C6E980E2672C5B39F8F3828E4D411D8E807B8DDF28E84008000000000000801000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-acetamidophenyl)-4-(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-acetamidophenyl)-4-(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-acetamidophenyl)-4-(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-acetamidophenyl)-4-(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-acetamidophenyl)-4-(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-acetamidophenyl)-4-(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)25-16-6-8-17(9-7-16)26-21(28)20-12-19-18(10-11-24-22(19)29-20)14-2-4-15(23)5-3-14/h2-11,20H,12H2,1H3,(H,25,27)(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LWOXOZBYPIWJPV-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=C(C=C1)NC(=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 CC(=O)NC1=CC=C(C=C1)NC(=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 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