65432626 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 9 8 8 7 7 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 2 2 3 4 4 4 5 5 5 6 6 7 8 8 8 9 9 9 10 11 11 13 14 15 16 16 16 17 17 18 18 19 20 20 20 15 14 20 12 6 12 21 7 31 32 7 11 10 10 13 16 12 14 15 23 13 22 24 17 18 25 26 27 19 28 19 29 30 33 34 35 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 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 3.403 6.8671 6.001 4.269 2.5369 4.269 3.403 4.269 5.135 3.403 5.135 5.135 5.135 6.001 4.269 4.269 6.001 4.269 5.135 7.7331 3.732 5.672 2.866 5.672 3.649 4.269 4.889 6.538 3.732 5.135 2 2.5369 8.0431 8.27 7.4231 1.75 1.75 0.25 0.25 -0.75 -0.75 -1.25 -2.75 1.75 -2.25 -1.25 0.75 -2.25 2.25 2.25 -3.75 3.25 3.25 3.75 2.25 0.56 -0.94 -2.56 -2.56 -3.75 -4.37 -3.75 3.56 3.56 4.37 -1.06 -0.13 1.7131 2.56 2.7869 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 8 8 9 9 11 14 15 17 18 7 11 10 10 13 14 15 13 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733100000000000000000000000000000000000000306000000000000000014000001F00100000000C0C81980A32C682C00400880225525000820800252200088801067CC80C6636C4B59B94316866F411C8E90798C8208E08000040000800201000008000100040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4-methyl-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-methylphenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-amino-4-methylphenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4-methylphenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-azanyl-4-methyl-phenyl)-2-fluoranyl-6-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4-methyl-phenyl)-2-fluoro-6-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H15FN2O2/c1-9-6-7-12(11(17)8-9)18-15(19)14-10(16)4-3-5-13(14)20-2/h3-8H,17H2,1-2H3,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VORPMLBEEQXGFL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.11175589 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H15FN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=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 CC1=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 2021.05.07 274.11175589 20 0 0 0 0 0 0 0 1 -1