19164712 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 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 6 6 6 7 7 7 8 8 9 9 9 9 10 10 10 11 12 12 13 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 25 25 26 24 24 24 14 15 12 15 31 14 16 32 11 13 10 11 27 28 14 29 30 15 13 18 19 17 20 21 24 22 33 23 34 25 35 26 36 23 37 38 26 39 40 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 2 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 34 35 36 37 38 39 40 6.7641 6.3981 7.7641 8.1301 6.3981 4.666 7.2641 4.666 6.3981 6.3981 5.5321 3.8 3.8 7.2641 5.5321 8.1301 8.1301 2.9061 2.9061 8.9962 8.9962 2 2 7.2641 9.8622 9.8622 6.6101 7.0087 6.186 5.7875 4.666 6.7272 2.9132 2.9132 8.9962 8.9962 1.4643 1.4643 10.3991 10.3991 2.261 3.627 3.993 -0.373 -3.373 -3.373 1.127 -1.373 -1.373 -0.373 -1.873 -2.873 -1.873 0.127 -2.873 1.627 2.627 -3.4077 -1.3384 1.127 3.127 -2.8938 -1.8522 3.127 1.627 2.627 -1.9556 -1.2654 0.2096 -0.4807 -3.993 1.437 -4.0276 -0.7184 0.507 3.747 -3.2059 -1.5401 1.317 2.937 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 8 11 12 12 13 16 16 17 18 19 20 21 22 25 12 15 11 13 15 13 18 19 17 20 21 22 23 25 26 23 26 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 577 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B3180000000000000000000000000000000000000306080000000000000814000001F00100000000C0881981030C082C00000A80325725400820000210200088801307488086032C09191942008609400C8C8071883000E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(3-oxo-4H-quinoxalin-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(3-oxo-4H-quinoxalin-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(3-oxo-4<I>H</I>-quinoxalin-2-yl)-<I>N</I>-[2-(trifluoromethyl)phenyl]propanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(3-oxo-4H-quinoxalin-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(3-oxidanylidene-4H-quinoxalin-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(3-keto-4H-quinoxalin-2-yl)-N-[2-(trifluoromethyl)phenyl]propionamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H14F3N3O2/c19-18(20,21)11-5-1-2-6-12(11)23-16(25)10-9-15-17(26)24-14-8-4-3-7-13(14)22-15/h1-8H,9-10H2,(H,23,25)(H,24,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XFOBEJLVIAQOFJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.10381118 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H14F3N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCC2=NC3=CC=CC=C3NC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCC2=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 2021.05.07 361.10381118 26 0 0 0 0 0 0 0 1 -1