16257621 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 8 7 7 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 2 2 3 3 4 5 5 5 6 6 6 7 7 7 8 8 9 10 10 11 11 12 12 13 13 13 14 14 14 16 16 17 18 18 18 19 19 20 20 21 22 23 23 24 22 9 21 10 17 15 7 13 14 8 15 28 8 9 25 26 27 16 11 15 12 18 17 20 29 30 31 32 33 34 19 35 22 36 37 38 21 40 23 39 41 24 24 42 43 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 7 5 8 9 25 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 9.8497 4.6783 6.7619 7.7619 6.7619 8.2619 7.7619 9.2619 5.2619 4.6783 3.732 8.2619 6.7619 6.2619 9.8497 3.732 4.9889 10.8007 2.866 10.8007 2.866 2 2 8.5719 8.3445 7.6542 6.4519 7.7249 8.5719 8.7988 6.7619 6.1419 6.7619 9.6581 5.5783 5.1815 4.3996 2.866 11.3023 11.3023 1.4631 1.4631 -1.1456 -0.0686 0.0497 1.7204 -1.7436 -0.0116 -0.8776 -0.0116 -0.8776 0.8544 1.6592 1.3544 -2.6097 -1.7436 0.8544 -1.6866 0.3544 2.6097 -1.3776 1.8544 -0.3776 -0.1456 1.3544 0.3544 -1.4146 0.2005 0.599 -0.5485 -2.9197 -3.1466 -2.2997 -1.1236 -1.7436 -2.3636 -2.2763 2.4171 3.199 2.8023 2.4744 -1.742 -0.0132 1.6644 0.0444 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 7 9 10 11 12 12 16 17 19 20 22 23 9 21 10 17 8 16 11 12 17 20 19 22 21 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 448 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300004000000000000000000000000012240000030000000000000004801FC00001E02100000000C2EE198263206C3C004408802A9529002820800242540088881CE0FC84E663B85B73F973928E6D61198A98798DFE3FE80000020000808000000004000101000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-chloro-N-[2-(dimethylamino)-2-(2-furyl)ethyl]-3-methyl-benzofuran-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-chloro-N-[2-(dimethylamino)-2-(2-furanyl)ethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-chloro-<I>N</I>-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-chloranyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-chloro-N-[2-(dimethylamino)-2-(2-furyl)ethyl]-3-methyl-coumarilamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H19ClN2O3/c1-11-12-6-4-7-13(19)17(12)24-16(11)18(22)20-10-14(21(2)3)15-8-5-9-23-15/h4-9,14H,10H2,1-3H3,(H,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JMOGGVIWCLTQHU-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 2021.05.07 346.1084202 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H19ClN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(OC2=C1C=CC=C2Cl)C(=O)NCC(C3=CC=CO3)N(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(OC2=C1C=CC=C2Cl)C(=O)NCC(C3=CC=CO3)N(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 58.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.1084202 24 1 0 1 0 0 0 0 1 -1