60571693 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 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 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 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 11 12 12 12 13 13 14 14 15 15 16 16 17 18 20 20 21 21 23 23 23 24 24 24 25 25 25 22 10 17 23 18 24 19 25 7 10 12 8 26 27 9 28 29 15 16 11 13 14 30 31 32 18 33 17 34 20 35 21 36 19 19 22 37 22 38 39 40 41 42 43 44 45 46 47 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 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 6.3301 3.732 6.3301 2.866 4.5981 5.4641 5.4641 6.3301 6.3301 4.5981 4.5981 6.3301 3.732 5.4641 7.1962 5.4641 5.4641 3.732 4.5981 7.1962 5.4641 6.3301 7.1962 2 3.732 5.252 4.8535 6.5422 6.9407 6.0201 6.8671 6.6401 3.1951 6.001 7.7331 4.9272 7.7331 4.9272 7.5062 7.7331 6.8862 2.31 1.4631 1.69 3.422 3.1951 4.042 5.25 -0.25 -3.75 -3.75 -4.75 -0.25 0.75 1.25 2.25 -0.75 -1.75 -0.75 -2.25 -2.25 2.75 2.75 -3.25 -3.25 -3.75 3.75 3.75 4.25 -3.25 -3.25 -5.25 1.3326 0.6423 0.6674 1.3577 -1.2869 -1.06 -0.2131 -1.94 -1.94 2.44 2.44 4.06 4.06 -3.7869 -2.94 -2.7131 -2.7131 -2.94 -3.7869 -4.7131 -5.56 -5.7869 8 8 8 8 8 8 8 8 8 8 8 8 9 9 11 11 13 14 15 16 17 18 20 21 15 16 13 14 18 17 20 21 19 19 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 400 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3900000000000000000000000000000000000000306000000000000000014000001F00000000000C04C1980E3206830004008802215210008208002420000888010E8CC80D273284B51B84312A65C6158AA987BAFC9ECE20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methyl-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-<I>N</I>-methylbenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methyl-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methyl-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H22FNO4/c1-21(10-9-13-5-7-15(20)8-6-13)19(22)14-11-16(23-2)18(25-4)17(12-14)24-3/h5-8,11-12H,9-10H2,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WLRTVJKFZMTUQB-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 2021.05.07 347.15328635 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H22FNO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CCC1=CC=C(C=C1)F)C(=O)C2=CC(=C(C(=C2)OC)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CCC1=CC=C(C=C1)F)C(=O)C2=CC(=C(C(=C2)OC)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 48 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.15328635 25 0 0 0 0 0 0 0 1 -1