46943147 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 48 49 50 51 52 53 54 55 56 9 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 5 6 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 16 16 17 18 19 19 20 20 21 21 22 22 23 23 24 25 26 26 27 27 28 28 29 18 15 17 24 7 10 12 11 14 15 7 8 11 30 31 32 9 33 34 10 35 36 37 38 39 40 13 41 42 16 43 44 45 46 47 17 18 19 20 22 23 48 21 49 24 26 25 50 25 51 27 52 28 53 29 54 29 55 56 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 6 7 8 11 30 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 48 49 50 51 52 53 54 55 56 6.2619 6.7619 4.6783 8.2619 6.7619 8.2619 7.7619 9.2619 9.7619 9.2619 7.7619 7.7619 8.2619 6.2619 6.2619 7.7619 5.2619 6.7619 8.2619 4.6783 3.732 6.2619 7.7619 3.732 6.7619 2.866 2.866 2 2 8.5719 7.2869 7.2869 9.8445 9.1542 10.2368 10.2368 9.1542 9.8445 8.3445 7.6542 7.2869 7.2869 8.7368 8.7368 5.7249 5.9519 6.7988 8.8819 4.8709 5.6419 8.0719 6.4519 2.866 2.866 1.4631 1.4631 -1.799 4.2631 2.5924 -0.067 2.5311 1.6651 0.799 1.6651 0.799 -0.067 2.5311 -0.933 -1.799 1.6651 3.3971 -2.6651 3.3971 -2.6651 -3.5311 4.2018 3.8971 -3.5311 -4.3971 2.8971 -4.3971 4.3971 2.3971 3.8971 2.8971 2.202 1.1976 0.4005 1.8771 2.2756 0.4005 1.1976 -0.6776 -0.279 2.7431 3.1417 -0.5345 -1.3315 -2.1976 -1.4005 1.9751 1.1281 1.3551 -3.5311 4.7912 -3.5311 -4.934 -4.934 5.0171 1.7771 4.2071 2.5871 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 6 16 16 17 18 19 20 21 21 22 23 24 26 27 28 17 24 11 18 19 20 22 23 21 24 26 25 25 27 28 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 545 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B31000000000000000000000000000001200000003C608000000000004801F400001F00000000000D04C1980C3206C30004408802A1521002820800242000088801CE0CC80E263284F53F873928E4C61198A98798DFA2EE00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-N-methyl-benzofuran-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-[2-(2-fluorophenyl)ethyl]-3-piperidinyl]methyl]-N-methyl-2-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-<I>N</I>-methyl-1-benzofuran-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-N-methyl-coumarilamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H27FN2O2/c1-26(24(28)23-15-20-9-3-5-11-22(20)29-23)16-18-7-6-13-27(17-18)14-12-19-8-2-4-10-21(19)25/h2-5,8-11,15,18H,6-7,12-14,16-17H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NUFITHHASBWZBH-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 2021.05.07 394.20565627 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H27FN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 394.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(CC1CCCN(C1)CCC2=CC=CC=C2F)C(=O)C3=CC4=CC=CC=C4O3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(CC1CCCN(C1)CCC2=CC=CC=C2F)C(=O)C3=CC4=CC=CC=C4O3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 36.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 394.20565627 29 1 0 1 0 0 0 0 1 -1