60378779 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 9 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 2 2 3 4 4 5 5 5 6 6 6 7 7 8 9 9 9 10 10 10 11 11 12 12 13 13 14 15 16 16 17 17 18 18 19 19 20 21 23 23 23 24 24 24 22 14 23 8 20 24 6 8 10 7 25 26 11 12 13 14 15 16 27 28 29 17 30 18 31 15 32 19 33 21 34 22 35 22 36 20 37 21 38 39 40 41 42 43 44 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 13 8 32 15 33 9 2 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 9.7942 2.866 4.5981 4.5981 6.3301 6.3301 7.1962 5.4641 4.5981 7.1962 7.1962 8.0622 5.4641 3.732 4.5981 5.4641 8.0622 8.9282 3.732 4.5981 5.4641 8.9282 2 5.4641 6.1181 5.7196 6.8862 7.7331 7.5062 6.6592 8.0622 6.001 4.0611 6.001 8.0622 9.4651 3.1951 6.001 1.69 1.4631 2.31 5.1541 6.001 5.7741 4.75 -1.25 1.75 -4.25 1.75 2.75 3.25 1.25 -1.25 1.25 4.25 2.75 0.25 -1.75 -0.25 -1.75 4.75 3.25 -2.75 -3.25 -2.75 4.25 -1.75 -4.75 3.3326 2.6423 0.7131 0.94 1.7869 4.56 2.13 -0.06 0.06 -1.44 5.37 2.94 -3.06 -3.06 -1.2131 -2.06 -2.2869 -5.2869 -5.06 -4.2131 8 8 8 8 8 8 8 8 8 8 8 8 7 7 9 9 11 12 14 16 17 18 19 20 11 12 14 16 17 18 19 21 22 22 20 21 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 421 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3100000000000000000000000000000000000000306000000000000000014000001F00000000000C04C1980E3206830004008802215210008208002020000888000E0CC80C272284B11B84302865C61588A98790E02C0E20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-3-(2,4-dimethoxyphenyl)-<I>N</I>-[(4-fluorophenyl)methyl]-<I>N</I>-methylprop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(2,4-dimethoxyphenyl)-N-(4-fluorobenzyl)-N-methyl-acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H20FNO3/c1-21(13-14-4-8-16(20)9-5-14)19(22)11-7-15-6-10-17(23-2)12-18(15)24-3/h4-12H,13H2,1-3H3/b11-7+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZLCBQPNRGPJKKI-YRNVUSSQSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.14272166 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H20FNO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CC1=CC=C(C=C1)F)C(=O)C=CC2=C(C=C(C=C2)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CC1=CC=C(C=C1)F)C(=O)/C=C/C2=C(C=C(C=C2)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 38.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.14272166 24 0 0 0 1 1 0 0 1 -1