21352762 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 8 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 2 3 3 4 4 5 5 5 6 6 6 7 7 8 9 9 10 10 11 11 12 13 13 13 14 15 15 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 25 25 26 26 28 28 28 29 29 29 14 16 24 28 27 29 7 14 30 8 16 33 8 9 10 11 13 12 31 12 32 34 35 36 37 15 18 19 17 20 21 22 38 23 39 25 40 26 41 24 42 24 43 27 44 27 45 46 47 48 49 50 51 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 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 51 10.6603 6.3301 9.7942 2.866 8.9282 7.1962 8.9282 8.0622 9.7942 8.0622 9.7942 8.9282 10.6603 9.7942 9.7942 6.3301 5.4641 10.6603 8.9282 5.4641 4.5981 10.6603 8.9282 9.7942 4.5981 3.732 3.732 10.6603 2 8.3913 7.5252 10.3312 7.1962 8.9282 10.9703 11.1972 10.3503 11.1972 8.3913 6.001 4.5981 11.1972 8.3913 4.5981 3.1951 10.9703 11.1972 10.3503 1.69 1.4631 2.31 -1 -3.5 3.5 -0.5 -1 -2 -2 -2.5 -2.5 -3.5 -3.5 -4 -2 -0.5 0.5 -2.5 -2 1 1 -1 -2.5 2 2 2.5 -0.5 -2 -1 4 -1 -0.69 -3.81 -3.81 -1.38 -4.62 -2.5369 -1.69 -1.4631 0.69 0.69 -0.69 -3.12 2.31 2.31 0.12 -2.31 3.4631 4.31 4.5369 -0.4631 -1.31 -1.5369 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 9 10 11 15 15 17 17 18 19 20 21 22 23 25 26 8 9 10 11 12 12 18 19 20 21 22 23 25 26 24 24 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 539 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371E07B38000000000000000000000000000000000000003060C0000000000000015000001E00100000000C0C81980232C682C00400880225525000820800252200088801067CC80C6632C4B59B94312864D411C8E98798DC02CE20000040000200204000008000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-3-methyl-phenyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-[2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylphenyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-<I>N</I>-[2-[(4-methoxybenzoyl)amino]-3-methylphenyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-3-methylphenyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-[2-[(4-methoxyphenyl)carbonylamino]-3-methyl-phenyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-[3-methyl-2-(p-anisoylamino)phenyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H22N2O4/c1-15-5-4-6-20(24-22(26)16-7-11-18(28-2)12-8-16)21(15)25-23(27)17-9-13-19(29-3)14-10-17/h4-14H,1-3H3,(H,24,26)(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LUEUGOSMFMNXNX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 390.15795719 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H22N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 390.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)OC)NC(=O)C3=CC=C(C=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)OC)NC(=O)C3=CC=C(C=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 76.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 390.15795719 29 0 0 0 0 0 0 0 1 -1