100472 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 7 7 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 2 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 11 13 13 14 14 15 15 16 16 17 18 19 19 20 20 21 21 22 12 12 17 31 17 22 6 7 8 9 10 11 12 23 24 10 25 11 26 13 14 27 28 15 29 16 30 18 32 18 33 19 34 20 35 21 36 22 37 38 2 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 2 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 3.732 4.5981 2.866 5.4641 5.4641 5.4641 4.5981 6.3301 5.4641 4.5981 6.3301 4.5981 6.3301 4.5981 6.3301 4.5981 3.732 5.4641 3.732 2.866 2 2 5.6762 6.0747 4.0611 6.8671 4.0611 6.8671 6.8671 4.0611 5.135 6.8671 4.0611 5.4641 4.269 2.866 1.4631 1.4631 -1.25 -2.75 -2.75 -0.25 1.75 -1.25 0.25 0.25 2.75 1.25 1.25 -1.75 3.25 3.25 4.25 4.25 -3.25 4.75 -4.25 -4.75 -4.25 -3.25 -1.8326 -1.1423 -0.06 -0.06 1.56 1.56 2.94 2.94 -3.06 4.56 4.56 5.37 -4.56 -5.37 -4.56 -2.94 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 9 9 13 14 15 16 17 19 20 21 17 22 7 8 10 11 10 11 13 14 15 16 18 18 19 20 21 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 343 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000000000000003C608000000000000001D000001E00100000000C00C19A043DB092C81000A8023377740082802931022009D8213864988820F2C09D91842008689502C8C8271888C08EC0000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-phenylphenyl)-N-(2-pyridyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-phenylphenyl)-N-(2-pyridinyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-phenylphenyl)-<I>N</I>-pyridin-2-ylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-phenylphenyl)-N-pyridin-2-ylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-phenylphenyl)-N-pyridin-2-yl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-phenylphenyl)-N-(2-pyridyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H16N2O/c22-19(21-18-8-4-5-13-20-18)14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,20,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PWHROYKAGRUWDQ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 288.126263138 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H16N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 288.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=CC=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=CC=N3 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 2021.10.14 288.126263138 22 0 0 0 0 0 0 0 1 -1