8007173 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 10 10 11 11 12 13 15 15 16 16 17 17 18 18 19 20 20 21 21 22 23 23 23 24 25 25 25 14 24 9 14 26 10 12 13 24 33 12 15 11 14 13 18 17 20 16 27 19 23 19 28 21 29 30 22 31 22 32 34 35 36 37 25 1 1 1 2 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 2 1 1 1 2 1 1 1 1 1 1 2 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 33 34 35 36 37 5.0301 4.6641 6.0301 7.2622 7.2622 5.5301 5.5301 6.3961 4.6641 6.3961 7.2622 4.6641 7.2622 6.3961 3.7702 2.8641 3.7702 8.1282 2.8641 8.1282 8.9942 8.9942 2 6.3961 5.5301 5.5301 3.7773 3.7773 8.1282 2.3284 8.1282 9.5312 5.8592 9.5312 1.6879 1.4643 2.3121 1.511 2.877 3.243 -2.623 2.377 -2.623 -0.623 0.877 -2.123 -1.123 -0.623 -1.123 0.377 -2.123 -2.6577 -2.1438 -0.5884 -1.123 -1.1022 0.877 -0.623 0.377 -2.6472 1.877 2.377 -3.243 -3.2776 0.0316 -1.743 -0.7901 1.497 -0.933 0.567 0.687 -2.1114 -2.9592 -3.1829 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 11 12 13 15 16 17 18 20 21 9 14 10 12 12 15 14 13 18 17 20 16 19 19 21 22 22 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 00000371C07B3180000000000000000000000000000000000000306080000000000000814000001F00100000000C0881981032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E08000040000200201000008000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoro-N-[2-(6-methyl-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-[2-(6-methyl-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>-[2-(6-methyl-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-[2-(6-methyl-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-[2-(6-methyl-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-6-methyl-4H-quinoxalin-2-yl)phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H12F3N3O2/c1-9-6-7-12-13(8-9)22-15(24)14(21-12)10-4-2-3-5-11(10)23-16(25)17(18,19)20/h2-8H,1H3,(H,22,24)(H,23,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UGIUXXJBAKWIJD-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=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3NC(=O)C(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3NC(=O)C(F)(F)F 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