63257464 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 9 9 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 4 4 4 5 5 5 6 6 6 6 7 7 8 8 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 15 19 9 8 9 22 10 30 31 7 9 20 21 11 12 10 13 14 16 23 17 24 15 25 18 26 18 19 27 19 28 29 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 1 1 2 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 6.001 8.5991 6.001 4.269 2.5369 5.135 6.001 4.269 5.135 3.403 6.001 6.8671 5.135 3.403 5.135 6.8671 7.7331 4.269 7.7331 4.923 4.5244 3.732 5.4641 6.8671 5.672 2.866 6.8671 8.27 4.269 2 2.5369 -3.25 3.25 -0.25 -0.25 -1.25 1.25 1.75 -1.25 0.25 -1.75 2.75 1.25 -1.75 -2.75 -2.75 3.25 1.75 -3.25 2.75 1.8326 1.1423 0.06 3.06 0.63 -1.44 -3.06 3.87 1.44 -3.87 -1.56 -0.63 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 10 11 12 13 14 15 16 17 11 12 10 13 14 16 17 15 18 18 19 19 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 00000371C0732180000000000000000000000000000000000000306000000000000000014000001F00100000000C0881980830C082C00000880225525000820000210200088801007488086032C09591942008609400C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-amino-5-fluoro-phenyl)-2-(4-fluorophenyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-amino-5-fluorophenyl)-2-(4-fluorophenyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(2-amino-5-fluorophenyl)-2-(4-fluorophenyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-amino-5-fluorophenyl)-2-(4-fluorophenyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-azanyl-5-fluoranyl-phenyl)-2-(4-fluorophenyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-amino-5-fluoro-phenyl)-2-(4-fluorophenyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H12F2N2O/c15-10-3-1-9(2-4-10)7-14(19)18-13-8-11(16)5-6-12(13)17/h1-6,8H,7,17H2,(H,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VDBGVBVWLSPAKN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 262.09176933 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H12F2N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 262.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1CC(=O)NC2=C(C=CC(=C2)F)N)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1CC(=O)NC2=C(C=CC(=C2)F)N)F 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 2021.10.14 262.09176933 19 0 0 0 0 0 0 0 1 -1