49792141 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 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 2 3 3 4 4 4 5 5 6 6 6 7 8 8 9 9 10 10 11 11 12 13 13 14 16 16 17 17 18 19 19 20 20 21 21 22 22 23 23 25 26 26 26 7 12 15 24 26 15 17 31 18 25 7 8 10 9 11 12 13 15 14 27 16 18 28 14 29 30 21 32 19 20 33 22 34 23 35 25 36 24 37 24 38 39 40 41 42 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 2 2 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 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 5.5443 4.5981 2.866 2.866 5.4978 4.5981 4.5981 5.5443 3.732 3.732 5.855 6.1279 2.866 2.866 3.732 6.8335 2.866 5.1871 2 3.732 7.1441 2 3.732 2.866 6.4763 2 3.732 6.7479 2.3291 2.3291 2.3291 7.2475 4.5804 1.4631 4.269 7.7508 1.4631 4.269 6.6689 1.69 1.4631 2.31 0.8671 -0.8281 -4.8282 -0.8281 5.1219 2.1718 1.1718 2.4766 0.6719 2.6718 3.4271 1.6718 1.1718 2.1718 -0.3281 3.6333 -1.8282 4.1714 -2.3282 -2.3282 4.5838 -3.3282 -3.3282 -3.8282 5.3282 -5.3282 3.2918 1.6718 0.8619 2.4818 -0.5181 3.1719 4.0436 -2.0182 -2.0182 4.7117 -3.6382 -3.6382 5.9175 -4.7912 -5.6382 -5.8651 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 6 6 6 7 8 9 10 11 11 13 16 17 17 19 20 21 22 23 7 12 18 25 7 8 10 9 12 13 14 16 18 14 21 19 20 22 23 25 24 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 478 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001200000003C608000000000004801FC00001E00100000000C0CE19A063EC6D2C81440A802BD77D40082882035222008D8213E6CD80C26FECCB59B863968E6F411C8E987BCD9F28E80400200000800000080040000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxyphenyl)-3-(3-pyridyl)benzofuran-7-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxyphenyl)-3-(3-pyridinyl)-7-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(4-methoxyphenyl)-3-pyridin-3-yl-1-benzofuran-7-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxyphenyl)-3-pyridin-3-yl-1-benzofuran-7-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxyphenyl)-3-pyridin-3-yl-1-benzofuran-7-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxyphenyl)-3-(3-pyridyl)benzofuran-7-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H16N2O3/c1-25-16-9-7-15(8-10-16)23-21(24)18-6-2-5-17-19(13-26-20(17)18)14-4-3-11-22-12-14/h2-13H,1H3,(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WUBLALSSEJQFKQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.11609238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H16N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2OC=C3C4=CN=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2OC=C3C4=CN=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 64.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 344.11609238 26 0 0 0 0 0 0 0 1 -1