60378791 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 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 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 9 10 11 11 11 12 12 13 13 14 15 17 17 18 18 19 19 20 21 21 22 22 24 24 24 25 25 25 26 26 26 23 16 24 14 25 15 26 10 7 10 11 8 27 28 17 18 12 13 19 20 29 30 31 15 32 14 33 16 16 21 34 22 35 20 36 37 23 38 23 39 40 41 42 43 44 45 46 47 48 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 19 9 36 20 37 10 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 45 46 47 48 9.7942 4.5981 6.3301 2.866 4.5981 6.3301 6.3301 7.1962 4.5981 5.4641 7.1962 3.732 5.4641 5.4641 3.732 4.5981 7.1962 8.0622 4.5981 5.4641 8.0622 8.9282 8.9282 3.732 7.1962 2 6.1181 5.7196 6.8862 7.7331 7.5062 3.1951 6.001 6.6592 8.0622 4.0611 6.001 8.0622 9.4651 3.422 3.1951 4.042 7.5062 7.7331 6.8862 2.31 1.4631 1.69 4.75 -4.25 -3.25 -3.25 1.75 1.75 2.75 3.25 -1.25 1.25 1.25 -1.75 -1.75 -2.75 -2.75 -3.25 4.25 2.75 -0.25 0.25 4.75 3.25 4.25 -4.75 -2.75 -2.75 3.3326 2.6423 0.7131 0.94 1.7869 -1.44 -1.44 4.56 2.13 0.06 -0.06 5.37 2.94 -4.2131 -5.06 -5.2869 -3.2869 -2.44 -2.2131 -2.2131 -2.44 -3.2869 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 12 13 14 15 17 18 21 22 17 18 12 13 15 14 16 16 21 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 451 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 00000371E07A3900000000000000000000000000000000000000306000000000000000014000001F00000000000C04C1980E3206830004008802215210008208002020000888000E8CC80D272284B11B84302A65C6158AA98790E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[(4-fluorophenyl)methyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[(4-fluorophenyl)methyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-<I>N</I>-[(4-fluorophenyl)methyl]-<I>N</I>-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[(4-fluorophenyl)methyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[(4-fluorophenyl)methyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(4-fluorobenzyl)-N-methyl-3-(3,4,5-trimethoxyphenyl)acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H22FNO4/c1-22(13-14-5-8-16(21)9-6-14)19(23)10-7-15-11-17(24-2)20(26-4)18(12-15)25-3/h5-12H,13H2,1-4H3/b10-7+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WQTXEVLDFZXNOX-JXMROGBWSA-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 2021.05.07 359.15328635 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H22FNO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CC1=CC=C(C=C1)F)C(=O)C=CC2=CC(=C(C(=C2)OC)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=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 2021.05.07 359.15328635 26 0 0 0 1 1 0 0 1 -1