54682628 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 17 9 8 8 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 1 1 1 1 1 1 2 3 3 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 18 19 20 21 21 22 23 24 24 25 25 26 22 23 13 14 15 19 45 8 9 10 12 15 17 11 27 28 13 29 30 14 31 32 12 33 34 35 36 37 38 39 40 16 18 19 20 41 21 42 43 20 44 22 23 24 25 26 46 26 47 48 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 1 1 1 2 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 4.2704 3.6689 10.1506 4.9544 6.6865 8.4185 6.6865 7.5525 8.4185 9.2845 7.5525 6.6865 9.2845 10.1506 5.8204 5.8204 7.5525 4.9544 6.6865 7.5525 3.9696 3.6276 3.3268 2.6428 2.342 2 6.9419 7.3404 7.8079 8.2065 9.6831 8.886 8.1631 7.7646 6.0759 6.4744 8.886 9.6831 10.7611 10.3626 8.0894 5.4517 4.7424 8.0894 7.2234 2.4308 1.9435 1.3894 4.1897 0.7782 -3.6897 0.3103 3.3103 -2.6897 0.3103 -2.1897 -3.6897 -2.1897 -1.1897 -0.6897 -4.1897 -2.6897 0.8103 1.8103 0.8103 2.3103 2.3103 1.8103 2.484 3.4237 1.7179 3.5974 1.8916 2.8313 -2.082 -2.7723 -3.582 -4.2723 -1.7148 -1.7148 -1.2974 -0.6071 -0.582 -1.2723 -4.6646 -4.6646 -2.7973 -2.1071 0.5003 2.6805 1.7277 2.1203 3.6203 4.18 1.4166 2.939 8 8 8 8 8 8 8 8 8 8 8 8 7 7 15 16 17 19 21 21 22 23 24 25 15 17 16 19 20 20 22 23 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 563 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B31000400000000000000000000000000000000003C4080000000000000010000001F02000800000C06E1982E3000830006008802215650008200002027000888010802C80A243281D3108720002086009899071888808E00000000000100000000000000020000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(2-chloro-6-fluoro-phenyl)methyl]-4-hydroxy-1-(3-morpholinopropyl)pyridin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[3-(4-morpholinyl)propyl]-2-pyridinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxidanyl-pyridin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-chloro-6-fluoro-benzyl)-4-hydroxy-1-(3-morpholinopropyl)-2-pyridone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H22ClFN2O3/c20-16-3-1-4-17(21)14(16)13-15-18(24)5-8-23(19(15)25)7-2-6-22-9-11-26-12-10-22/h1,3-5,8,24H,2,6-7,9-13H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NEHOGKXGYWUECI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 380.1302984 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H22ClFN2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 380.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1CCCN2C=CC(=C(C2=O)CC3=C(C=CC=C3Cl)F)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1CCCN2C=CC(=C(C2=O)CC3=C(C=CC=C3Cl)F)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 53 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 380.1302984 26 0 0 0 0 0 0 0 1 -1