10430788 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 49 50 51 9 8 8 8 8 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 1 1 1 2 2 3 3 4 4 5 6 6 6 7 7 7 8 8 9 9 10 11 12 12 13 14 14 15 16 16 17 17 18 19 20 21 21 21 22 22 23 23 23 24 24 25 25 26 26 26 27 27 28 28 29 19 11 22 10 23 15 26 13 7 9 13 8 30 31 10 12 11 14 16 17 15 32 21 19 33 18 18 34 20 35 36 20 37 38 39 40 24 25 41 42 43 27 44 28 45 46 47 48 29 49 29 50 51 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 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 49 50 51 8.0622 4.5981 8.9282 5.4641 4.5981 6.3301 7.1962 7.1962 6.3301 8.0622 5.4641 6.3301 5.4641 7.1962 6.3301 8.0622 5.4641 7.1962 7.1962 6.3301 5.4641 3.732 9.7942 3.732 2.866 5.4641 2.866 2 2 7.4082 7.8067 5.7932 7.7331 8.5991 4.9272 7.1962 6.3301 6.0841 5.4641 4.8441 10.1042 10.3312 9.4842 4.269 2.866 6.0841 5.4641 4.8441 2.866 1.4631 1.4631 -3.75 -1.75 0.75 2.75 -0.75 -0.75 -0.25 0.75 -1.75 1.25 -2.25 1.25 -0.25 -2.25 2.25 2.25 -3.25 2.75 -3.25 -3.75 0.75 -2.25 1.25 -3.25 -1.75 3.75 -3.75 -2.25 -3.25 -0.8326 -0.1423 0.94 -1.94 2.56 -3.56 3.37 -4.37 0.75 1.37 0.75 0.7131 1.56 1.7869 -3.56 -1.13 3.75 4.37 3.75 -4.37 -1.94 -3.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 11 12 14 15 16 17 19 22 22 24 25 27 28 10 12 11 14 16 17 15 19 18 18 20 20 24 25 27 28 29 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 513 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A39000000000000000000000000000000000000003060C0000000000000015000001F00000000000C0CC1980E32C6830004008802255250008208002122000888000F6C880E2622C4B19B873828E6C611D8E807F0C0300E01000100000810000200020000102000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxy-phenyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(2,5-dimethoxyphenyl)methyl]-<I>N</I>-(5-fluoro-2-phenoxyphenyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoranyl-2-phenoxy-phenyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxy-phenyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DCRZYADKQRHHSF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 395.15328635 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H22FNO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 395.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)N(CC1=C(C=CC(=C1)OC)OC)C2=C(C=CC(=C2)F)OC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)N(CC1=C(C=CC(=C1)OC)OC)C2=C(C=CC(=C2)F)OC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 48 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 395.15328635 29 0 0 0 0 0 0 0 1 -1