65434429 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 9 8 8 7 7 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 2 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 10 10 11 11 12 12 12 13 15 16 17 17 18 18 19 20 20 20 21 21 21 16 15 21 14 7 14 26 8 20 29 8 9 10 9 11 22 23 24 13 25 13 27 14 15 16 28 17 18 19 30 19 31 32 33 34 35 36 37 38 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 2 2 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 6.3301 2.866 3.732 5.4641 7.1962 6.3301 5.4641 7.1962 6.3301 5.4641 4.5981 4.5981 4.5981 4.5981 3.732 5.4641 3.732 5.4641 4.5981 8.0622 2 7.4082 7.8067 6.8671 5.4641 6.001 4.0611 4.0611 6.6592 3.1951 6.001 4.5981 8.3722 8.5991 7.7522 1.69 1.4631 2.31 -2 -2 -0.5 -0.5 3.5 2 0.5 2.5 1 2.5 1 -2 2 -1 -2.5 -2.5 -3.5 -3.5 -4 4 -2.5 1.9174 2.6077 0.69 3.12 -0.81 0.69 2.31 3.81 -3.81 -3.81 -4.62 3.4631 4.31 4.5369 -1.9631 -2.81 -3.0369 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 10 11 12 12 15 16 17 18 9 10 9 11 13 13 15 16 17 18 19 19 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 340 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3100000000000000000000000000000000000000306000000000000000014000001F00100000000C0CC1980E32C682C004008802255250008208002522000888810E6CC80C2636C4B59B84316866F411C8E90798C8208E00000040000800000000008000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-6-methoxy-N-[3-(methylaminomethyl)phenyl]benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-6-methoxy-N-[3-(methylaminomethyl)phenyl]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-6-methoxy-<I>N</I>-[3-(methylaminomethyl)phenyl]benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-6-methoxy-N-[3-(methylaminomethyl)phenyl]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoranyl-6-methoxy-N-[3-(methylaminomethyl)phenyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-6-methoxy-N-[3-(methylaminomethyl)phenyl]benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H17FN2O2/c1-18-10-11-5-3-6-12(9-11)19-16(20)15-13(17)7-4-8-14(15)21-2/h3-9,18H,10H2,1-2H3,(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YEWVFAFJEUONCH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.12740595 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H17FN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CNCC1=CC(=CC=C1)NC(=O)C2=C(C=CC=C2F)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CNCC1=CC(=CC=C1)NC(=O)C2=C(C=CC=C2F)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 50.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.12740595 21 0 0 0 0 0 0 0 1 -1