56200637 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 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 6 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 3 4 5 5 5 6 6 6 7 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 13 13 13 14 16 16 17 19 19 19 20 20 20 21 21 22 22 23 23 24 24 25 25 26 9 21 15 18 8 15 33 13 18 39 8 9 27 28 29 30 31 32 12 14 19 14 16 18 17 20 15 34 35 36 17 37 38 40 41 42 43 44 45 22 23 24 46 25 47 26 48 26 49 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 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 10.6603 7.1962 6.3301 2.866 5.4641 4.5981 6.3301 6.3301 7.1962 2.866 3.732 3.732 4.5981 2.866 5.4641 4.5981 4.5981 3.732 2 3.732 8.0622 8.0622 8.9282 8.9282 9.7942 9.7942 6.1181 5.7196 6.5422 6.9407 7.4082 7.8067 4.9272 4.386 3.9875 2.3291 5.135 5.135 5.135 1.69 1.4631 2.31 3.112 3.732 4.352 7.5252 8.9282 8.9282 10.3312 6 4 -0.5 -1.5 1 -1.5 2.5 1.5 3 -4.5 -3 -5 -0.5 -3.5 0 -3.5 -4.5 -2 -5 -6 4.5 5.5 4 6 4.5 5.5 3.0826 2.3923 0.9174 1.6077 2.4174 3.1077 1.31 0.0826 -0.6077 -3.19 -3.19 -4.81 -1.81 -4.4631 -5.31 -5.5369 -6 -6.62 -6 5.81 3.38 6.62 4.19 8 8 8 8 8 8 8 8 8 8 8 8 10 10 11 11 12 16 21 21 22 23 24 25 12 14 14 16 17 17 22 23 24 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 452 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3100000000000000000000000000000000000000306000000000000000014000001F00100000000C04E1980E320682C004008802215210008208002420000888818E0CC80C663284B53B963928E6D61188A98798C8C08EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[3-(4-fluorophenoxy)propylamino]-2-oxo-ethyl]-3,4-dimethyl-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[3-(4-fluorophenoxy)propylamino]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-[3-(4-fluorophenoxy)propylamino]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[3-(4-fluorophenoxy)propylamino]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[3-(4-fluoranylphenoxy)propylamino]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[3-(4-fluorophenoxy)propylamino]-2-keto-ethyl]-3,4-dimethyl-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H23FN2O3/c1-14-4-5-16(12-15(14)2)20(25)23-13-19(24)22-10-3-11-26-18-8-6-17(21)7-9-18/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)(H,23,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OVGDIVQDBJDXIE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.16927076 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H23FN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)C(=O)NCC(=O)NCCCOC2=CC=C(C=C2)F)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)C(=O)NCC(=O)NCCCOC2=CC=C(C=C2)F)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 67.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.16927076 26 0 0 0 0 0 0 0 1 -1