49790993 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 17 8 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 6 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 7 8 8 9 9 11 11 13 13 14 14 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 25 25 26 27 28 28 28 24 8 10 12 27 10 15 12 16 33 8 9 29 30 12 31 10 11 13 14 17 18 15 32 34 19 22 20 35 21 36 23 37 24 39 24 40 25 38 26 27 26 41 42 28 43 44 45 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 8 2 7 12 31 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 2.866 4.6783 6.7619 9.2619 2.866 6.7619 4.6783 5.2619 3.732 3.732 2.866 6.2619 2.866 2 2 7.7619 2 3.732 8.2619 2 3.732 8.2619 9.2619 2.866 9.2619 9.7619 9.7619 10.7619 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 10.3819 10.7619 11.3819 10.7619 3.366 -2.4387 -0.7679 0.0981 -2.634 -2.5 -0.8292 -1.634 -1.134 -2.134 -0.634 -1.634 0.366 -1.134 -2.134 -2.5 0.866 0.866 -1.634 1.866 1.866 -3.366 -1.634 2.366 -3.366 -2.5 -0.7679 -0.7679 -0.52 -0.2623 -2.1863 -0.824 -3.0369 -2.444 0.556 0.556 -1.097 -3.903 2.176 2.176 -3.903 -2.5 -1.388 -0.7679 -0.1479 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 16 17 18 19 20 21 22 23 25 10 15 12 10 11 14 17 18 15 19 22 20 21 23 24 24 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 578 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 1 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 00000371E07B30000400000000000000000000000001200000003C608000000000005801D000001E02100000000C1EE19A263EC492C81400A802B577540282882035272008D8217C6ED80E2672C5B79F8F3928E4D411D8E987BCDDF28E84000040000000000800008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-acetylphenyl)-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-(3-acetylphenyl)-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>-(3-acetylphenyl)-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-(3-acetylphenyl)-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 4-(4-chlorophenyl)-N-(3-ethanoylphenyl)-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-(3-acetylphenyl)-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/C22H17ClN2O3/c1-13(26)15-3-2-4-17(11-15)25-21(27)20-12-19-18(9-10-24-22(19)28-20)14-5-7-16(23)8-6-14/h2-11,20H,12H2,1H3,(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YZBKWRJHLKAHTC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.0927701 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H17ClN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC(=CC=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)C1=CC(=CC=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 68.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.0927701 28 1 0 1 0 0 0 0 1 -1