54781169 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 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 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 7 8 9 9 9 10 10 11 11 14 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 23 24 24 25 26 26 26 15 26 12 13 6 12 28 13 16 33 8 10 8 11 13 27 12 15 17 14 29 14 30 31 18 21 22 19 32 20 34 20 35 36 23 37 24 38 25 39 25 40 41 42 43 44 1 1 2 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 2 1 1 2 2 1 1 1 1 1 2 1 1 1 1 2 1 2 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 8.9282 8.0622 3.732 6.3301 4.5981 6.3301 5.4641 5.4641 7.1962 7.1962 6.3301 7.1962 4.5981 7.1962 8.0622 3.732 6.3301 8.0622 6.3301 7.1962 2.866 3.732 2 2.866 2 9.7942 4.9272 5.7932 7.7331 6.3301 7.7331 5.7932 5.135 8.5991 5.7932 7.1962 2.866 4.269 1.4631 2.866 1.4631 10.1042 10.3312 9.4842 2.75 1.25 -1.25 1.25 -2.75 0.25 -1.25 -0.25 2.75 -0.25 -1.75 1.75 -1.75 -1.25 3.25 -3.25 3.25 4.25 4.25 4.75 -2.75 -4.25 -3.25 -4.75 -4.25 3.25 0.06 1.56 0.06 -2.37 -1.56 2.94 -3.06 4.56 4.56 5.37 -2.13 -4.56 -2.94 -5.37 -4.56 2.7131 3.56 3.7869 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 9 9 10 11 15 16 16 17 18 19 21 22 23 24 8 10 8 11 15 17 14 14 18 21 22 19 20 20 23 24 25 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 476 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 00000371E07B30000000000000000000000000000000000000003060C0000000000000015000001E00100000000C0C81980232C682C00400880225525000820800252200088801066CC80C2636C4B59B84316866F411C8E9879CC8208E00000040000800000000008000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-methoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-[anilino(oxo)methyl]phenyl]-2-methoxybenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-methoxy-<I>N</I>-[3-(phenylcarbamoyl)phenyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-methoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-methoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-methoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H18N2O3/c1-26-19-13-6-5-12-18(19)21(25)23-17-11-7-8-15(14-17)20(24)22-16-9-3-2-4-10-16/h2-14H,1H3,(H,22,24)(H,23,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QJRKDWBNKPMPLE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.13174244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H18N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 67.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.13174244 26 0 0 0 0 0 0 0 1 -1