49778217 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 6 7 7 8 8 9 10 10 11 11 12 13 13 14 14 15 15 16 17 17 18 18 18 19 20 22 22 23 23 24 25 25 25 26 26 27 9 12 19 25 21 21 22 38 24 27 7 8 12 9 13 11 14 10 15 21 17 18 28 16 29 20 30 16 31 32 19 33 34 35 36 20 37 23 24 26 39 40 41 42 43 27 44 45 1 1 1 1 2 1 1 1 1 2 1 1 2 2 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 2 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 5.5443 6.787 4.5981 2.866 3.732 5.5443 4.5981 5.855 4.5981 3.732 6.8335 6.1279 3.732 5.1871 2.866 2.866 7.1441 7.5013 6.4763 5.4978 3.732 2.866 2 3.732 7.7654 2 2.866 6.7479 3.732 4.5804 2.3291 2.3291 7.7508 7.0398 7.9154 7.9628 5.0837 2.3291 1.4631 4.269 7.8933 8.3721 7.6376 1.4631 2.866 -0.4612 4.9503 -2.1565 -2.1565 -4.6565 1.1482 0.8435 2.0987 -0.1565 -0.6565 2.305 0.3435 1.3435 2.843 -0.1565 0.8435 3.2555 1.5607 3.9998 3.7936 -1.6565 -3.1565 -3.6565 -3.6565 5.1565 -4.6565 -5.1565 0.3435 1.9635 2.7152 -0.4665 1.1535 3.3833 1.1466 1.0992 1.9747 4.255 -1.8465 -3.3465 -3.3465 4.5498 5.2844 5.7632 -4.9665 -5.7765 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 7 7 8 8 9 10 11 13 14 15 17 19 22 22 23 26 9 12 24 27 7 12 9 13 11 14 10 15 17 16 20 16 19 20 23 24 26 27 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 514 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 00000371E07B30000000000000000000000000000001200000003C608000000000004801FC00001E00100000000C0CE19A063EC6D2C81440A802BD77D40082882035322008D8213E7CD80C66FECCB59B963968E6F411C8E98798C8F08EA0000300001800004000060000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-methoxy-2-methyl-phenyl)-N-(3-pyridyl)benzofuran-7-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-methoxy-2-methylphenyl)-N-(3-pyridinyl)-7-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-methoxy-2-methylphenyl)-<I>N</I>-pyridin-3-yl-1-benzofuran-7-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-methoxy-2-methylphenyl)-N-pyridin-3-yl-1-benzofuran-7-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-methoxy-2-methyl-phenyl)-N-pyridin-3-yl-1-benzofuran-7-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-methoxy-2-methyl-phenyl)-N-(3-pyridyl)benzofuran-7-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H18N2O3/c1-14-11-16(26-2)8-9-17(14)20-13-27-21-18(20)6-3-7-19(21)22(25)24-15-5-4-10-23-12-15/h3-13H,1-2H3,(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DTQRPVGZGSLLTL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.13174244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H18N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CC(=C1)OC)C2=COC3=C2C=CC=C3C(=O)NC4=CN=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CC(=C1)OC)C2=COC3=C2C=CC=C3C(=O)NC4=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 2021.05.07 358.13174244 27 0 0 0 0 0 0 0 1 -1