65434365 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 11 12 12 12 13 13 13 14 14 14 16 17 18 18 19 19 20 21 21 21 17 16 21 15 7 15 24 9 31 32 8 10 12 9 10 11 13 11 22 23 25 26 27 28 29 30 15 16 17 18 19 20 33 20 34 35 36 37 38 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 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 3.403 6.8671 6.001 4.269 2.5369 5.135 4.269 4.269 3.403 5.135 3.403 6.001 4.269 5.135 5.135 6.001 4.269 6.001 4.269 5.135 7.7331 5.672 2.866 3.732 5.691 6.538 6.311 3.649 4.269 4.889 2 2.5369 6.538 3.732 5.135 8.0431 8.27 7.4231 1.75 1.75 0.25 0.25 -0.75 -2.25 -0.75 -2.75 -1.25 -1.25 -2.25 -2.75 -3.75 1.75 0.75 2.25 2.25 3.25 3.25 3.75 2.25 -0.94 -2.56 0.56 -3.2869 -3.06 -2.2131 -3.75 -4.37 -3.75 -1.06 -0.13 3.56 3.56 4.37 1.7131 2.56 2.7869 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 9 14 14 16 17 18 19 8 10 9 10 11 11 16 17 18 19 20 20 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 366 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3100000000000000000000000000000000000000306000000000000000014000001F00100000000C0C81980A32C682C00400880225525000820800252200088801067CC80C6636C4B59B94316866F411C8E90798C8A08E88000040001800201000008000300040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4,5-dimethyl-phenyl)-2-fluoro-6-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4,5-dimethylphenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-amino-4,5-dimethylphenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4,5-dimethylphenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-azanyl-4,5-dimethyl-phenyl)-2-fluoranyl-6-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4,5-dimethyl-phenyl)-2-fluoro-6-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H17FN2O2/c1-9-7-12(18)13(8-10(9)2)19-16(20)15-11(17)5-4-6-14(15)21-3/h4-8H,18H2,1-3H3,(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KYJOAVKEPRCGKK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 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 CC1=CC(=C(C=C1C)NC(=O)C2=C(C=CC=C2F)OC)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1C)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 0 0 0 0 0 0 0 1 -1