49790448 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 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 6 6 7 7 8 8 10 10 12 12 13 13 14 15 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 24 24 25 25 26 23 7 9 11 11 15 31 9 14 7 8 27 28 11 29 9 10 12 13 16 17 14 30 34 18 32 33 19 35 20 36 21 22 23 37 23 38 24 39 25 40 26 41 26 42 43 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 7 2 6 11 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 41 42 43 2.866 4.6783 6.7619 6.7619 2.866 4.6783 5.2619 3.732 3.732 2.866 6.2619 2.866 2 2 7.7619 3.732 2 8.2619 3.732 2 9.2619 7.7619 2.866 9.7619 8.2619 9.2619 5.2156 4.4272 5.5436 1.4631 6.4519 8.3445 7.6542 1.4631 4.269 1.4631 4.269 1.4631 9.5719 7.1419 10.3819 7.9519 9.5719 4.232 -1.5727 0.0981 -1.634 -1.768 0.0368 -0.7679 -0.2679 -1.268 0.2321 -0.7679 1.232 -0.2679 -1.268 -1.634 1.732 1.732 -2.5 2.732 2.732 -2.5 -3.366 3.232 -3.366 -4.232 -4.232 0.346 0.6037 -1.3202 0.0421 -2.1709 -1.4219 -1.0234 -1.578 1.422 1.422 3.042 3.042 -1.9631 -3.366 -3.366 -4.769 -4.769 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 8 8 10 12 12 13 16 17 18 18 19 20 21 22 24 25 9 14 11 9 10 13 16 17 14 19 20 21 22 23 23 24 25 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 475 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000400000000000000000000000001200000003C608000000000005801D000001E02100000000C16E19A263C8492C81400A8023177540282882031272008D8A17C6E980E2672C5B39F8F3828E4D611D8E807B8DDF28E84000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-benzyl-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 4-(4-chlorophenyl)-N-(phenylmethyl)-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>-benzyl-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-benzyl-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-(phenylmethyl)-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-benzyl-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/C21H17ClN2O2/c22-16-8-6-15(7-9-16)17-10-11-23-21-18(17)12-19(26-21)20(25)24-13-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LMELAXFPQWZKNU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.0978555 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H17ClN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.8 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)NCC4=CC=CC=C4 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)NCC4=CC=CC=C4 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 2021.05.07 364.0978555 26 1 0 1 0 0 0 0 1 -1