7187745 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 34 35 36 37 9 9 9 8 8 7 7 7 6 6 6 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 5 6 6 6 7 7 8 8 8 9 9 9 10 11 12 12 13 13 14 14 15 17 17 18 19 19 20 20 21 21 21 22 22 23 24 25 25 25 16 24 14 16 28 10 15 11 24 30 10 11 12 16 17 13 26 18 21 15 19 20 18 27 29 22 31 23 32 33 34 35 23 36 37 25 1 1 1 2 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 2 2 1 1 1 1 1 1 1 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 29 30 31 32 33 34 35 36 37 4.166 3.8 5.166 6.3981 6.3981 4.666 4.666 5.5321 6.3981 5.5321 6.3981 7.2641 8.1301 3.8 3.8 5.5321 7.2641 8.1301 2.9061 2.9061 8.9962 2 2 5.5321 4.666 7.2641 7.2641 4.666 8.6671 4.9951 2.9132 2.9132 8.6862 9.5331 9.3062 1.4643 1.4643 1.511 2.877 3.243 -2.623 2.377 -2.623 -0.623 0.877 -0.623 -1.123 0.377 -1.123 -0.623 -2.123 -1.123 -2.123 0.877 0.377 -2.6577 -0.5884 -1.123 -2.1438 -1.1022 1.877 2.377 -1.743 1.497 -3.243 0.687 0.567 -3.2776 0.0316 -1.66 -1.433 -0.5861 -2.4559 -0.7901 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 9 9 10 11 12 13 14 14 15 17 19 20 22 14 16 10 15 11 12 16 17 13 18 15 19 20 18 22 23 23 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 576 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B3180000000000000000000000000000000000000306080000000000000814000001F00100000000C0881981032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88C08E08000200000200201000040000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoro-<I>N</I>-[4-methyl-2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoro-N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-tris(fluoranyl)-N-[4-methyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoro-N-[2-(3-keto-4H-quinoxalin-2-yl)-4-methyl-phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H12F3N3O2/c1-9-6-7-11(23-16(25)17(18,19)20)10(8-9)14-15(24)22-13-5-3-2-4-12(13)21-14/h2-8H,1H3,(H,22,24)(H,23,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OOVVLZCEKLZSNC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.08816112 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H12F3N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)NC(=O)C(F)(F)F)C2=NC3=CC=CC=C3NC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)NC(=O)C(F)(F)F)C2=NC3=CC=CC=C3NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 70.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.08816112 25 0 0 0 0 0 0 0 1 -1