65434405 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 8 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 2 2 3 4 5 5 5 6 6 7 7 7 8 8 8 9 11 12 12 13 14 14 15 16 16 17 17 18 19 20 20 20 21 21 21 13 11 21 10 18 6 10 23 9 12 10 11 13 9 14 18 22 16 15 24 17 15 25 26 19 27 19 28 20 29 30 31 32 33 34 35 1 1 1 2 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 2 2 1 1 2 1 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 6.3301 2.866 3.732 8.0622 5.4641 5.4641 4.5981 6.3301 6.3301 4.5981 3.732 4.5981 5.4641 5.4641 4.5981 3.732 5.4641 7.1962 4.5981 7.1962 2 6.8671 6.001 4.0611 5.4641 4.0611 3.1951 6.001 4.5981 7.8162 7.1962 6.5762 1.69 1.4631 2.31 -1.75 -1.75 -0.25 2.25 -0.25 0.75 -1.75 2.25 1.25 -0.75 -2.25 1.25 -2.25 2.75 2.25 -3.25 -3.25 2.75 -3.75 3.75 -2.25 0.94 -0.56 0.94 3.37 2.56 -3.56 -3.56 -4.37 3.75 4.37 3.75 -1.7131 -2.56 -2.7869 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 8 11 12 13 14 16 17 9 12 11 13 9 14 16 15 17 15 19 19 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 388 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 1 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 00000371C07A3100000000000000000000000000000000000000306000000000000000014000001F00100000000C0C81980A32C682C004008802A5525000820800252200088801066CC80C2636C4B59B84316866F411C8E9879CC8A08E00000040000800000000008000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetylphenyl)-2-fluoro-6-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetylphenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(3-acetylphenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetylphenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-ethanoylphenyl)-2-fluoranyl-6-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-acetylphenyl)-2-fluoro-6-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H14FNO3/c1-10(19)11-5-3-6-12(9-11)18-16(20)15-13(17)7-4-8-14(15)21-2/h3-9H,1-2H3,(H,18,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IBRGBMKEPJBUMW-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 2021.05.07 287.09577147 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H14FNO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 287.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CC=C2F)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)C1=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 55.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 287.09577147 21 0 0 0 0 0 0 0 1 -1