65434555 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 14 15 15 16 17 18 19 19 19 10 8 19 9 7 9 20 14 28 29 8 9 10 11 12 13 15 16 21 17 22 18 23 16 17 18 24 25 26 27 30 31 32 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 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 6.3301 2.866 3.732 5.4641 5.4641 4.5981 5.4641 3.732 4.5981 5.4641 4.5981 6.3301 3.732 5.4641 5.4641 4.5981 6.3301 4.5981 2 6.001 4.0611 6.8671 3.1951 6.001 4.0611 6.8671 4.5981 6.001 4.9272 1.69 1.4631 2.31 -1.905 -1.905 -0.405 -0.405 3.595 -1.905 0.595 -2.405 -0.905 -2.405 1.095 1.095 -3.405 2.595 -3.405 2.095 2.095 -3.905 -2.405 -0.715 0.785 0.785 -3.715 -3.715 2.405 2.405 -4.525 3.905 3.905 -1.8681 -2.715 -2.9419 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 10 11 12 13 14 14 15 8 10 11 12 13 15 16 17 18 16 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 306 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733100000000000000000000000000000000000000306000000000000000014000001F00100000000C0C81980A32C682C00400880225525000820800252200088801066CC80C2636C4B59B84316866F411C8E90798C8208E00008000000800000001000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-aminophenyl)-2-fluoro-6-methoxy-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-aminophenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(4-aminophenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-aminophenyl)-2-fluoro-6-methoxybenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-aminophenyl)-2-fluoranyl-6-methoxy-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-aminophenyl)-2-fluoro-6-methoxy-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H13FN2O2/c1-19-12-4-2-3-11(15)13(12)14(18)17-10-7-5-9(16)6-8-10/h2-8H,16H2,1H3,(H,17,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XCLAHLSFPIWOOX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 260.09610582 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H13FN2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 260.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C(=CC=C1)F)C(=O)NC2=CC=C(C=C2)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C(=CC=C1)F)C(=O)NC2=CC=C(C=C2)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 64.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 260.09610582 19 0 0 0 0 0 0 0 1 -1