68801490 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 33 8 7 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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 5 6 6 8 8 9 9 10 10 11 12 12 13 14 15 15 16 16 17 17 18 7 7 8 21 11 30 31 12 32 33 6 7 19 20 9 10 11 15 13 22 14 23 16 13 14 24 25 17 26 18 27 18 28 29 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 2 1 1 1 1 1 1 1 2 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 33 6.001 4.269 2.5369 8.5991 5.135 6.001 5.135 4.269 6.8671 6.001 3.403 7.7331 7.7331 6.8671 5.135 3.403 5.135 4.269 4.923 4.5244 3.732 6.8671 5.4641 8.27 6.8671 5.672 2.866 5.672 4.269 2 2.5369 8.5991 9.136 -0.56 -0.56 -1.56 2.94 0.94 1.44 -0.06 -1.56 0.94 2.44 -2.06 2.44 1.44 2.94 -2.06 -3.06 -3.06 -3.56 1.5226 0.8323 -0.25 0.32 2.75 1.13 3.56 -1.75 -3.37 -3.37 -4.18 -1.87 -0.94 3.56 2.63 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 8 9 10 11 12 12 15 16 17 9 10 11 15 13 14 16 13 14 17 18 18 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 274 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000000000000000000000000000000000000000306000000000000000014000001E00100000000C0881980030C082C00000880225525000820000210200088801007488086032C09591942008609400C8C8071888808E08000000000000201000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-aminophenyl)-2-(4-aminophenyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-aminophenyl)-2-(4-aminophenyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(2-aminophenyl)-2-(4-aminophenyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-aminophenyl)-2-(4-aminophenyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-aminophenyl)-2-(4-aminophenyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-aminophenyl)-2-(4-aminophenyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H15N3O/c15-11-7-5-10(6-8-11)9-14(18)17-13-4-2-1-3-12(13)16/h1-8H,9,15-16H2,(H,17,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LUOZAFQFIQQELP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.121512110 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H15N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)N)NC(=O)CC2=CC=C(C=C2)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)N)NC(=O)CC2=CC=C(C=C2)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 81.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.121512110 18 0 0 0 0 0 0 0 1 -1