46761901 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 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 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 2 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 10 12 12 13 13 14 14 14 15 16 16 17 17 18 18 19 19 19 20 21 21 22 23 23 24 24 25 25 25 26 26 27 27 28 10 14 11 20 6 19 20 7 11 30 9 12 9 13 10 11 17 29 18 15 31 15 32 16 33 34 35 23 24 21 36 22 37 38 39 40 25 22 41 42 26 43 27 44 47 48 49 28 45 28 46 50 1 1 2 2 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 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 7.1962 6.3301 3.732 2.866 4.5981 3.732 4.5981 5.4641 3.732 6.3301 5.4641 4.5981 5.4641 8.0622 5.4641 8.9282 4.5981 6.3301 2 2.866 4.5981 5.4641 8.9282 9.7942 2 9.7942 10.6603 10.6603 3.1951 4.0611 4.5981 6.001 8.4607 7.6636 6.001 4.0611 6.8671 2.31 1.4631 1.69 4.0611 5.4641 8.3913 9.7942 9.7942 11.1972 1.69 1.4631 2.31 11.1972 2 0.5 -4 -2.5 0.5 -2 -0.5 2 -1 2.5 1 -2.5 -1 2.5 -2 2 2.5 3.5 -2 -3.5 3.5 4 1 2.5 -4 0.5 2 1 -0.69 0.81 -3.12 -0.69 2.975 2.975 -2.31 2.19 3.81 -1.4631 -1.69 -2.5369 3.81 4.62 0.69 3.12 -0.12 2.31 -3.4631 -4.31 -4.5369 0.69 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 8 10 12 13 16 16 17 18 21 23 24 26 27 9 12 9 13 10 17 18 15 15 23 24 21 22 22 26 27 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 518 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003060C0000000000000015000001E00100000000C0CA1980632C683C004008802255250008208002522000888010E6CC80C2636C4F5DB863968E6F611C8E98798C8208E00000000040800000000000008100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[acetyl(methyl)amino]phenyl]-2-benzyloxy-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[acetyl(methyl)amino]phenyl]-2-phenylmethoxybenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[3-[acetyl(methyl)amino]phenyl]-2-phenylmethoxybenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[acetyl(methyl)amino]phenyl]-2-phenylmethoxybenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[ethanoyl(methyl)amino]phenyl]-2-phenylmethoxy-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[acetyl(methyl)amino]phenyl]-2-benzoxy-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H22N2O3/c1-17(26)25(2)20-12-8-11-19(15-20)24-23(27)21-13-6-7-14-22(21)28-16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,24,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XNAAHKFUTJGMBA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 374.16304257 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H22N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 374.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)N(C)C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2OCC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)N(C)C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2OCC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 58.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 374.16304257 28 0 0 0 0 0 0 0 1 -1