4824193 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 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 1 2 2 2 3 3 4 4 4 4 5 5 6 6 8 8 8 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 19 20 21 21 22 22 23 23 24 7 5 7 28 20 24 6 7 25 26 9 10 12 13 9 11 15 27 14 29 14 30 16 31 17 32 33 19 34 18 35 18 36 37 20 38 21 22 39 23 40 24 41 42 2 1 1 1 1 2 1 1 1 1 1 2 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 15 8 34 19 20 38 3 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 8.0622 6.3301 3.732 7.1962 6.3301 8.0622 7.1962 5.4641 5.4641 7.1962 6.3301 8.0622 8.9282 7.1962 4.5981 8.9282 9.7942 9.7942 4.5981 3.732 2.866 2 2 2.866 6.9841 6.5856 4.9272 5.7932 7.7331 6.3301 7.5252 8.9282 7.7331 4.0611 8.9282 10.3312 10.3312 5.135 2.866 1.4631 1.4631 2.866 1.25 1.25 -4.25 2.75 0.25 3.25 1.75 -1.25 -0.25 -0.25 -1.75 4.25 2.75 -1.25 -1.75 4.75 3.25 4.25 -2.75 -3.25 -2.75 -3.25 -4.25 -4.75 3.3326 2.6423 0.06 1.56 0.06 -2.37 4.56 2.13 -1.56 -1.44 5.37 2.94 4.56 -3.06 -2.13 -2.94 -4.56 -5.37 8 8 8 8 8 8 8 8 8 8 8 8 1 8 8 8 8 8 8 3 3 5 5 6 6 8 8 10 11 12 13 15 16 17 20 21 22 23 20 24 9 10 12 13 9 11 14 14 16 17 19 18 18 21 22 23 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 414 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B20000000000000000000000000000000000000003C608000000000000001D000001E00100000000C08C19E043CC092C81000A8033577540082802031022008D8213864980820F2C09591842008609400C8C8071888808E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-phenyl-N-[3-[2-(2-pyridyl)vinyl]phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-phenyl-N-[3-[2-(2-pyridinyl)ethenyl]phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-phenyl-<I>N</I>-[3-(2-pyridin-2-ylethenyl)phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-phenyl-N-[3-(2-pyridin-2-ylethenyl)phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-phenyl-N-[3-(2-pyridin-2-ylethenyl)phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-phenyl-N-[3-[2-(2-pyridyl)vinyl]phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H18N2O/c24-21(16-17-7-2-1-3-8-17)23-20-11-6-9-18(15-20)12-13-19-10-4-5-14-22-19/h1-15H,16H2,(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WFMDWNCDVKQNRN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.141913202 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H18N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C=CC3=CC=CC=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C=CC3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 42 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.141913202 24 0 0 0 1 0 1 0 1 -1