65434361 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 6 7 7 8 10 11 11 12 12 13 13 14 15 15 16 17 17 18 19 19 19 10 8 19 9 7 9 20 14 28 29 8 9 10 11 12 13 15 14 21 17 22 16 23 18 16 24 25 18 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 1 2 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 6.3301 2.866 3.732 5.4641 7.1962 4.5981 5.4641 3.732 4.5981 5.4641 6.3301 4.5981 3.732 6.3301 5.4641 4.5981 4.5981 5.4641 2 6.001 6.8671 4.0611 3.1951 6.001 4.5981 4.0611 5.4641 7.1962 7.7331 1.69 1.4631 2.31 -1.56 -1.56 -0.06 -0.06 2.94 -1.56 0.94 -2.06 -0.56 -2.06 1.44 1.44 -3.06 2.44 -3.06 -3.56 2.44 2.94 -2.06 -0.37 1.13 1.13 -3.37 -3.37 -4.18 2.75 3.56 3.56 2.63 -1.5231 -2.37 -2.5969 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 10 11 12 13 14 15 17 8 10 11 12 13 15 14 17 16 18 16 18 0 Compound Canonicalized 5 2012.05.21 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 00000371C0733100000000000000000000000000000000000000306000000000000000014000001F00100000000C0C81980A32C682C00400880225525000820800252200088801066CC80C2636C4F5DB84316866F411C8E90798C8208E00000000040800000000000008100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-aminophenyl)-2-fluoro-6-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-aminophenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(3-aminophenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-aminophenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-aminophenyl)-2-fluoranyl-6-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3-aminophenyl)-2-fluoro-6-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H13FN2O2/c1-19-12-7-3-6-11(15)13(12)14(18)17-10-5-2-4-9(16)8-10/h2-8H,16H2,1H3,(H,17,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CTMOEVXYURHWIB-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=C(C(=CC=C1)F)C(=O)NC2=CC=CC(=C2)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C(=CC=C1)F)C(=O)NC2=CC=CC(=C2)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