24980904 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 17 17 8 8 8 8 7 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 2 3 3 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 15 15 16 16 17 18 19 20 20 20 21 21 22 23 23 24 24 25 25 27 27 27 22 26 8 11 13 18 20 17 27 12 13 37 9 12 28 10 29 30 11 31 32 33 34 35 36 14 15 16 17 38 19 39 18 19 40 21 41 42 22 23 24 25 43 26 44 26 45 46 47 48 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 8 3 9 12 28 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 3.732 5.4641 6.4347 3.732 4.5981 2.866 5.4641 6.3301 7.2437 7.9128 7.4128 5.4641 4.5981 4.5981 3.732 5.4641 3.732 4.5981 5.4641 5.4641 5.4641 4.5981 6.3301 4.5981 6.3301 5.4641 2 5.8102 6.9337 7.7453 8.3277 8.4144 7.9792 7.2212 5.252 4.8535 6.001 3.1951 6.001 6.001 6.0747 5.6762 6.8671 4.0611 6.8671 2.31 1.4631 1.69 -2.8512 -5.8512 5.6433 3.1488 -1.3512 -0.3512 3.1488 4.6488 4.242 4.9852 5.8512 4.1488 2.6488 1.6488 1.1488 1.1488 0.1488 -0.3512 0.1488 -1.8512 -2.8512 -3.3512 -3.3512 -4.3512 -4.3512 -4.8512 0.1488 4.9865 3.7051 3.8776 4.5244 5.3496 6.1034 6.4409 4.7314 4.0411 2.8388 1.4588 1.4588 -0.1612 -1.9589 -1.2686 -3.0412 -4.6612 -4.6612 0.6857 0.4588 -0.3882 3 8 8 8 8 8 8 8 8 8 8 8 8 8 14 14 15 16 17 18 21 21 22 23 24 25 12 15 16 17 19 18 19 22 23 24 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 481 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A3800060000000000000000000000000120000000306000000000000000014000001E02100000000C16E19826320682C004008802215210008208002425000888810E8EC80F263285B71B87392AE4D6119AA987BADC32CE24000100008140004800020001028000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-(tetrahydrofuran-2-ylmethyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-(2-oxolanylmethyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-<I>N</I>-(oxolan-2-ylmethyl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(2,4-dichlorobenzyl)oxy-3-methoxy-N-(tetrahydrofurfuryl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H21Cl2NO4/c1-25-19-9-13(20(24)23-11-16-3-2-8-26-16)5-7-18(19)27-12-14-4-6-15(21)10-17(14)22/h4-7,9-10,16H,2-3,8,11-12H2,1H3,(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BKQGVNQQJOLQBR-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 2021.05.07 409.0847635 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H21Cl2NO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 410.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=CC(=C1)C(=O)NCC2CCCO2)OCC3=C(C=C(C=C3)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=CC(=C1)C(=O)NCC2CCCO2)OCC3=C(C=C(C=C3)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 56.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.0847635 27 1 0 1 0 0 0 0 1 -1