56270004 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 38 39 40 41 42 9 9 9 8 7 7 7 6 6 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 1 1 1 1 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 11 11 12 12 13 15 15 16 16 17 18 18 19 19 19 20 20 21 21 22 22 23 24 24 25 26 26 26 14 12 14 30 13 19 32 10 25 9 10 15 14 27 28 11 16 21 13 18 20 17 29 17 31 33 22 34 26 35 36 23 37 24 38 23 39 40 25 41 42 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 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 38 39 40 41 42 5.9641 6.3301 4.9641 3.732 4.5981 4.5981 7.2241 5.4641 5.4641 6.3301 6.3301 3.732 3.732 4.5981 4.5981 5.4641 4.5981 2.866 4.5981 2.866 7.2241 2 2 8.1301 8.1301 5.4641 5.6762 6.0747 4.0611 5.135 5.4641 5.135 4.0611 2.866 3.9875 4.386 2.866 7.2169 1.4631 1.4631 8.6659 8.6659 -2.7183 -4.0843 -4.4503 1.4157 -0.0843 -2.0843 2.381 2.4157 1.4157 2.9157 3.9157 -0.5843 -1.5843 0.9157 2.9157 4.4157 3.9157 -0.0843 -3.0843 -2.0843 4.4503 -0.5843 -1.5843 3.9365 2.8949 -3.5843 0.8331 1.5233 2.6057 -0.3943 5.0357 -1.7743 4.2257 0.5357 -2.9767 -3.6669 -2.7043 5.0703 -0.2743 -1.8943 4.2486 2.5828 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 10 11 11 12 12 13 15 16 18 20 21 22 24 10 25 10 15 11 16 21 13 18 20 17 17 22 23 24 23 25 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 471 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B21800000000000000000000000000000000000003C6080000000000000B1F400001F00100000000C08C19E143CC0F2C81000A8033577540082802031022008D8A13874980860F2C09591942008609400C8C8071C88C08E00000200000200200000040000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(8-quinolyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(8-quinolinyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-quinolin-8-yl-<I>N</I>-[2-(2,2,2-trifluoroethylamino)phenyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-quinolin-8-yl-N-[2-(2,2,2-trifluoroethylamino)phenyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-quinolin-8-yl-N-[2-[2,2,2-tris(fluoranyl)ethylamino]phenyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(8-quinolyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H16F3N3O/c20-19(21,22)12-24-15-8-1-2-9-16(15)25-17(26)11-14-6-3-5-13-7-4-10-23-18(13)14/h1-10,24H,11-12H2,(H,25,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JROJBTXOZJZHPE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.12454663 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H16F3N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)NCC(F)(F)F)NC(=O)CC2=CC=CC3=C2N=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)NCC(F)(F)F)NC(=O)CC2=CC=CC3=C2N=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 54 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.12454663 26 0 0 0 0 0 0 0 1 -1