69897315 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 47 48 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 13 14 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 23 24 24 25 26 26 27 27 28 12 8 12 35 15 27 6 10 11 7 9 16 15 29 30 12 17 13 14 18 19 13 31 14 32 33 34 22 20 36 21 37 23 38 24 39 21 40 41 26 42 25 43 25 44 45 28 46 28 47 48 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 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 39 40 41 42 43 44 45 46 47 48 4.5981 6.3301 7.1962 6.3301 4.5981 6.3301 5.4641 6.3301 3.732 5.4641 7.1962 5.4641 5.4641 7.1962 7.1962 4.5981 6.3301 2.866 3.732 5.4641 6.3301 8.0622 2 2.866 2 8.9282 8.0622 8.9282 6.1181 5.7196 4.9272 7.7331 4.9272 7.7331 6.8671 4.0611 6.8671 2.866 4.269 5.4641 6.8671 8.0622 1.4631 2.866 1.4631 9.4651 8.0622 9.4651 -1.25 -1.25 4.25 1.75 -3.25 2.75 -2.75 -0.25 -2.75 1.25 1.25 -1.75 0.25 0.25 3.25 -4.25 -3.25 -3.25 -1.75 -4.75 -4.25 2.75 -2.75 -1.25 -1.75 3.25 4.75 4.25 3.3326 2.6423 1.56 1.56 -0.06 -0.06 -1.56 -4.56 -2.94 -3.87 -1.44 -5.37 -4.56 2.13 -3.06 -0.63 -1.44 2.94 5.37 4.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 7 8 8 9 9 10 11 15 16 17 18 19 20 22 23 24 26 27 15 27 10 11 7 16 17 13 14 18 19 13 14 22 20 21 23 24 21 26 25 25 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 479 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000000000000003C60C100000000000001D400001E00100000000C08C19E043CC092C81000A8033577540082802035022008D8213864D80820F2C09591842108609400C8C9871888C08E88000000001000001000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-[4-(2-pyridylmethyl)phenyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-[4-(2-pyridinylmethyl)phenyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-<I>N</I>-[4-(pyridin-2-ylmethyl)phenyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-[4-(pyridin-2-ylmethyl)phenyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-[4-(pyridin-2-ylmethyl)phenyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-[4-(2-pyridylmethyl)phenyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C25H20N2O/c28-25(24-12-5-4-11-23(24)20-8-2-1-3-9-20)27-21-15-13-19(14-16-21)18-22-10-6-7-17-26-22/h1-17H,18H2,(H,27,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UUKOSECYKFOBAT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 364.157563266 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C25H20N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 364.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CC4=CC=CC=N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CC4=CC=CC=N4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 42 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 364.157563266 28 0 0 0 0 0 0 0 1 -1