70668755 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 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 2 2 3 4 4 4 5 5 6 6 7 7 8 8 8 9 10 10 10 11 11 12 12 12 13 15 16 17 18 18 18 19 19 20 20 21 22 22 23 23 24 25 25 26 27 27 28 16 26 17 45 14 6 14 30 24 28 7 9 11 18 9 13 16 29 14 15 17 13 31 15 19 20 32 33 22 21 34 35 36 23 24 21 37 38 25 39 27 40 41 26 42 43 28 44 46 1 1 1 1 2 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 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 3.4782 2.7166 3.5827 5.3147 7.9128 5.3147 6.1808 4.4487 4.4487 4.4487 6.1808 5.3147 5.3147 4.4487 5.3147 3.5827 3.5827 7.0468 6.1808 4.4487 3.5827 2.6691 6.1808 7.0468 2 2.5 7.0468 7.9128 3.9118 5.8517 6.7177 5.3147 5.8517 6.7368 7.5837 7.3568 4.4487 3.0457 2.5402 5.6438 7.0468 1.3834 2.2478 7.0468 2.1797 8.4497 4.3933 -1.1012 0.3988 0.3988 -3.1012 1.3988 1.8988 2.8988 1.8988 -1.1012 2.8988 -2.6012 3.3988 -0.1012 -1.6012 3.3988 -1.6012 1.3988 -3.1012 -3.1012 -2.6012 2.992 -4.1012 -2.6012 3.7352 4.6012 -4.6012 -4.1012 1.5888 0.0888 3.2088 4.0188 -1.2912 0.8618 1.0888 1.9357 -3.7212 -2.9112 2.3856 -4.4112 -1.9812 3.6704 5.1676 -5.2212 -1.4112 -4.4112 8 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 8 8 10 10 11 12 12 16 17 19 19 20 22 23 25 27 16 26 24 28 7 9 11 9 13 15 17 13 15 20 22 21 23 24 21 25 27 26 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 528 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 2 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 00000371E07B30000000000000000000000000000001200000003C608000000000000001F400001E00100800000C0CE19A063EC692C81640A802BD77D40082882035222008D8213E6CD80C26F6C6B59B867968E6F411C8F987BCC8F08EE0000240000A0000C000048000140000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-(2-furyl)-2-methyl-phenyl]-2-hydroxy-5-(3-pyridyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-(2-furanyl)-2-methylphenyl]-2-hydroxy-5-(3-pyridinyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[5-(furan-2-yl)-2-methylphenyl]-2-hydroxy-5-pyridin-3-ylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-(furan-2-yl)-2-methylphenyl]-2-hydroxy-5-pyridin-3-ylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-(furan-2-yl)-2-methyl-phenyl]-2-oxidanyl-5-pyridin-3-yl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[5-(2-furyl)-2-methyl-phenyl]-2-hydroxy-5-(3-pyridyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H18N2O3/c1-15-6-7-17(22-5-3-11-28-22)13-20(15)25-23(27)19-12-16(8-9-21(19)26)18-4-2-10-24-14-18/h2-14,26H,1H3,(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PHDKPKWMSTVTCC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.13174244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H18N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=C(C=C1)C2=CC=CO2)NC(=O)C3=C(C=CC(=C3)C4=CN=CC=C4)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=C(C=C1)C2=CC=CO2)NC(=O)C3=C(C=CC(=C3)C4=CN=CC=C4)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 75.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.13174244 28 0 0 0 0 0 0 0 1 -1