63257038 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 9 8 8 7 7 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 2 2 3 4 4 4 5 5 5 6 6 7 7 7 8 10 11 11 12 12 13 13 14 14 15 16 16 17 18 19 19 19 15 10 19 9 6 9 20 8 28 29 8 11 9 10 12 13 14 15 21 16 22 17 23 18 24 17 18 25 26 27 30 31 32 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 2 1 1 1 2 1 1 1 1 2 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 6.001 3.403 6.001 4.269 2.5369 4.269 5.135 3.403 5.135 4.269 5.135 6.001 3.403 4.269 5.135 6.001 4.269 5.135 2.5369 3.732 5.672 6.538 2.866 3.732 6.538 4.269 5.135 2 2.5369 2.8469 2 2.2269 -3.25 1.25 -0.25 -0.25 -1.25 -1.25 1.25 -1.75 0.25 1.75 -1.75 1.75 -2.75 2.75 -2.75 2.75 -3.25 3.25 1.75 0.06 -1.44 1.44 -3.06 3.06 3.06 -3.87 3.87 -1.56 -0.63 2.2869 2.06 1.2131 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 10 11 12 13 14 15 16 8 11 10 12 13 14 15 16 17 18 17 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 314 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 00000371C0733100000000000000000000000000000000000000306000000000000000014000001F00100000000C0C81980A32C682C00400880225525000820800252200088801067CC80C6636C4B59B94316866F411C8E98798C8208E00000000000800200000000000100040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-5-fluoro-phenyl)-2-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-5-fluorophenyl)-2-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-amino-5-fluorophenyl)-2-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-5-fluorophenyl)-2-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-azanyl-5-fluoranyl-phenyl)-2-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-5-fluoro-phenyl)-2-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H13FN2O2/c1-19-13-5-3-2-4-10(13)14(18)17-12-8-9(15)6-7-11(12)16/h2-8H,16H2,1H3,(H,17,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JXVKVSLMKCGCOL-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 2021.05.07 260.09610582 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H13FN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.26 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)F)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)F)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 2021.05.07 260.09610582 19 0 0 0 0 0 0 0 1 -1