65434750 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 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 2 3 3 4 5 5 5 6 6 6 7 7 7 8 8 10 11 12 13 13 14 14 15 15 16 16 17 17 18 20 20 20 12 19 10 20 9 8 9 21 11 28 29 9 10 12 11 13 14 15 16 17 22 18 23 19 24 18 25 19 26 27 30 31 32 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 2 2 1 2 1 2 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 3.403 4.269 6.8671 6.001 4.269 2.5369 5.135 4.269 5.135 6.001 3.403 4.269 5.135 6.001 3.403 4.269 5.135 5.135 4.269 7.7331 3.732 5.672 6.538 2.866 3.732 5.672 5.135 2 2.5369 8.0431 8.27 7.4231 1.75 -3.75 1.75 0.25 0.25 -0.75 1.75 -0.75 0.75 2.25 -1.25 2.25 -1.25 3.25 -2.25 3.25 -2.25 3.75 -2.75 2.25 0.56 -0.94 3.56 -2.56 3.56 -2.56 4.37 -1.06 -0.13 1.7131 2.56 2.7869 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 10 11 12 13 14 15 16 17 10 12 11 13 14 15 16 17 18 19 18 19 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 343 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 00000371C0733180000000000000000000000000000000000000306000000000000000014000001F00100000000C0C81980A32C682C00400880225525000820800252200088801067CC80C6636C4B59B94316866F411C8E90798C8208E00000000000800200000000000100040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4-fluoro-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-fluorophenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-amino-4-fluorophenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4-fluorophenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-azanyl-4-fluoranyl-phenyl)-2-fluoranyl-6-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4-fluoro-phenyl)-2-fluoro-6-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H12F2N2O2/c1-20-12-4-2-3-9(16)13(12)14(19)18-11-6-5-8(15)7-10(11)17/h2-7H,17H2,1H3,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WDPZBBRJDGGWPN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 278.08668395 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H12F2N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 278.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C(=CC=C1)F)C(=O)NC2=C(C=C(C=C2)F)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C(=CC=C1)F)C(=O)NC2=C(C=C(C=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 2021.05.07 278.08668395 20 0 0 0 0 0 0 0 1 -1