65434762 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 9 10 10 11 11 11 12 13 14 14 14 16 17 18 18 19 19 20 21 21 21 17 16 21 15 8 15 30 6 31 32 7 11 22 9 10 12 13 12 23 13 24 25 26 27 28 29 15 16 17 18 19 20 33 20 34 35 36 37 38 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 6 5 7 11 22 3 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 6.3301 5.4641 5.4641 5.4641 6.3301 4.5981 4.5981 6.3301 4.5981 4.5981 4.5981 3.732 5.4641 3.732 5.4641 4.5981 2 5.4641 6.8671 4.0611 4.9081 4.0611 4.2881 6.8671 4.0611 6.001 6.3301 6.8671 3.1951 6.001 4.5981 1.69 1.4631 2.31 -2.31 -2.31 -0.81 -0.81 3.69 3.19 2.19 0.19 1.69 1.69 3.69 0.69 0.69 -2.31 -1.31 -2.81 -2.81 -3.81 -3.81 -4.31 -2.81 3.81 2 2 4.2269 4 3.1531 0.38 0.38 -1.12 4.31 3.38 -4.12 -4.12 -4.93 -2.2731 -3.12 -3.3469 3 8 8 8 8 8 8 8 8 8 8 8 8 6 7 7 8 8 9 10 14 14 16 17 18 19 5 9 10 12 13 12 13 16 17 18 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 345 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3100000000000000000000000000000000000000306000000000000000014000001F00100000000C2CC1980E32C682C00400880225525000820800252200088881066CC80C2636C4B59B84316866F411C8E90798C8A08E08000000000800001000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(1-aminoethyl)phenyl]-2-fluoro-6-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(1-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[4-(1-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(1-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(1-azanylethyl)phenyl]-2-fluoranyl-6-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(1-aminoethyl)phenyl]-2-fluoro-6-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H17FN2O2/c1-10(18)11-6-8-12(9-7-11)19-16(20)15-13(17)4-3-5-14(15)21-2/h3-10H,18H2,1-2H3,(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XXJCRAGQIFSPEW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.1 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 CC(C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2F)OC)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2F)OC)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 64.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.12740595 21 1 0 1 0 0 0 0 1 -1