7187744 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 9 9 9 8 8 7 7 7 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 2 3 4 5 6 6 6 7 7 8 8 8 9 9 9 10 11 12 12 13 15 15 16 16 17 17 18 18 19 19 20 21 21 22 23 24 24 24 14 23 12 14 25 10 13 11 23 30 10 11 15 14 16 13 17 18 19 26 20 27 21 28 22 29 20 31 32 22 33 34 24 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 2 2 1 1 1 1 1 1 1 1 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 29 30 31 32 33 34 4.166 3.8 5.166 6.3981 6.3981 4.666 4.666 5.5321 6.3981 5.5321 6.3981 3.8 3.8 5.5321 7.2641 7.2641 2.9061 2.9061 8.1301 8.1301 2 2 5.5321 4.666 4.666 7.2641 7.2641 2.9132 2.9132 4.9951 8.6671 8.6671 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 -2.123 -1.123 -2.123 -1.123 0.877 -2.6577 -0.5884 -0.623 0.377 -2.1438 -1.1022 1.877 2.377 -3.243 -1.743 1.497 -3.2776 0.0316 0.567 -0.933 0.687 -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 12 13 15 16 17 18 19 21 12 14 10 13 11 15 14 16 13 17 18 19 20 21 22 20 22 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 547 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 00000371C07B3180000000000000000000000000000000000000306080000000000000814000001F00100000000C0881981030C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoro-N-[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-[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>-[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-[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-[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)phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H10F3N3O2/c17-16(18,19)15(24)22-10-6-2-1-5-9(10)13-14(23)21-12-8-4-3-7-11(12)20-13/h1-8H,(H,21,23)(H,22,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SZOIASZFGSLHMF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.07251106 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H10F3N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.26 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=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 2021.05.07 333.07251106 24 0 0 0 0 0 0 0 1 -1