46944083 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 8 8 7 7 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 2 3 3 3 4 4 5 5 5 6 7 7 8 8 9 9 10 10 11 12 12 13 15 15 16 17 17 18 18 19 19 20 20 21 22 22 23 23 24 6 11 14 14 17 30 16 21 6 7 9 8 10 11 12 14 13 25 15 16 26 13 27 28 18 29 31 19 20 21 32 22 33 23 34 35 24 36 24 37 38 1 1 2 1 1 1 1 2 2 1 1 1 1 2 2 1 2 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 2 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 5.5443 4.5981 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 5.1871 2.866 7.1441 2 3.732 6.4763 2 3.732 2.866 3.732 6.7479 2.3291 2.3291 7.2475 2.3291 4.5804 7.7508 1.4631 4.269 6.6689 1.4631 4.269 2.866 0.1171 -1.5782 -1.5782 4.3719 1.4218 0.4219 1.7266 -0.0781 1.9218 2.6771 0.9219 0.4219 1.4218 -1.0782 2.8833 3.4214 -2.5782 3.8338 -3.0782 -3.0782 4.5782 -4.0782 -4.0782 -4.5782 2.5418 0.9219 0.1119 1.7318 2.4219 -1.2682 3.2936 3.9617 -2.7682 -2.7682 5.1675 -4.3882 -4.3882 -5.1982 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 5 5 5 6 7 8 9 10 10 12 15 17 17 18 19 20 22 23 6 11 16 21 6 7 9 8 11 12 13 15 16 13 18 19 20 21 22 23 24 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 435 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B30000000000000000000000000000001200000003C608000000000004801FC00001E00100000000C0CE19A063CC6D2C81440A802BD77D40082882035222008D8213C6CD80C26FECCB59B863968E6F411C8E987BCD9F28E80000200000800000000040000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-phenyl-3-(3-pyridyl)benzofuran-7-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-phenyl-3-(3-pyridinyl)-7-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-phenyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-phenyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-phenyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-phenyl-3-(3-pyridyl)benzofuran-7-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H14N2O2/c23-20(22-15-7-2-1-3-8-15)17-10-4-9-16-18(13-24-19(16)17)14-6-5-11-21-12-14/h1-13H,(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SQGLPZWEWBVHIQ-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 2021.05.07 314.105527694 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H14N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=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 C1=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 55.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.105527694 24 0 0 0 0 0 0 0 1 -1