65661414 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 17 9 9 9 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 4 5 6 6 6 7 7 7 8 8 8 9 9 11 11 12 13 14 15 16 16 17 18 18 19 19 12 14 15 20 10 9 10 21 13 27 28 10 11 12 14 15 13 22 16 17 18 19 17 23 24 20 25 20 26 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 2 2 1 1 2 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 2.866 5.4641 2 3.732 5.4641 3.732 6.3301 4.5981 3.732 4.5981 5.4641 3.732 5.4641 4.5981 2.866 3.732 4.5981 4.5981 2.866 3.732 3.1951 6.001 3.1951 4.5981 5.135 2.3291 6.3301 6.8671 1.44 -1.06 -1.06 -4.06 -0.06 -0.06 3.44 1.44 -1.06 0.44 1.94 1.94 2.94 -1.56 -1.56 2.94 3.44 -2.56 -2.56 -3.06 0.25 1.63 3.25 4.06 -2.87 -2.87 4.06 3.13 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 11 12 13 14 15 16 18 19 11 12 14 15 13 16 17 18 19 17 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 349 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0732180040000000000000000000000000000000000306000000000000000014000001F02100000000C0A81982830C082C000008802255250008200002507000888010066C8082032C19791842108609400C8CD871C88008E00004040000100000000808000020000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-amino-2-chloro-N-(2,4,6-trifluorophenyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-amino-2-chloro-N-(2,4,6-trifluorophenyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-amino-2-chloro-<I>N</I>-(2,4,6-trifluorophenyl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-amino-2-chloro-N-(2,4,6-trifluorophenyl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-azanyl-2-chloranyl-N-[2,4,6-tris(fluoranyl)phenyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-amino-2-chloro-N-(2,4,6-trifluorophenyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H8ClF3N2O/c14-9-2-1-7(18)5-8(9)13(20)19-12-10(16)3-6(15)4-11(12)17/h1-5H,18H2,(H,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LLUXMBFSVWBANE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 300.0277251 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H8ClF3N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 300.66 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C=C1N)C(=O)NC2=C(C=C(C=C2F)F)F)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C=C1N)C(=O)NC2=C(C=C(C=C2F)F)F)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 55.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 300.0277251 20 0 0 0 0 0 0 0 1 -1