342201 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 17 9 9 9 8 8 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 2 3 4 5 5 6 7 7 7 8 8 9 9 9 10 11 12 12 13 13 13 14 15 16 16 17 17 18 19 19 20 20 21 23 23 25 14 22 22 22 11 24 24 12 24 32 10 25 10 14 17 11 16 15 19 15 20 22 18 26 18 27 23 28 29 21 30 21 31 33 25 34 35 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 2 1 1 2 2 1 1 1 1 2 1 2 1 1 1 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 5.5981 3 2 4 5.5981 3.866 4.732 7.358 6.4641 6.4641 5.5981 3.866 3 5.5981 3.866 4.732 7.358 4.732 3 2.134 2.134 3 8.2641 4.732 8.2641 4.403 4.1951 7.3509 4.1951 3 1.597 5.269 1.597 8.7998 8.7998 4.75 -4.75 -3.75 -3.75 0.75 0.75 -0.75 1.7153 3.25 2.25 1.75 -1.25 -2.75 3.75 -2.25 2.25 3.7847 3.25 -0.75 -2.25 -1.25 -3.75 3.2708 0.25 2.2292 -2.56 1.94 4.4046 3.56 -0.13 -2.56 -1.06 -0.94 3.5829 1.9171 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 10 11 12 12 13 13 14 16 17 19 20 23 10 25 10 14 17 11 16 15 19 15 20 18 18 23 21 21 25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 477 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B31800400000000000000000000000000000000003C6080000000000000B1F400001F02100000000C0EC19E343CCEF2C81400A80334675C0482882031672008D8203F6E990E26E2C5B39B8D322864D411D8E80790C0B00E00200140020310000040028004062000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-chloro-8-quinolyl) N-[3-(trifluoromethyl)phenyl]carbamate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(trifluoromethyl)phenyl]carbamic acid (5-chloro-8-quinolinyl) ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-chloroquinolin-8-yl) <I>N</I>-[3-(trifluoromethyl)phenyl]carbamate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-chloroquinolin-8-yl) N-[3-(trifluoromethyl)phenyl]carbamate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-chloranylquinolin-8-yl) N-[3-(trifluoromethyl)phenyl]carbamate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(trifluoromethyl)phenyl]carbamic acid (5-chloro-8-quinolyl) ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H10ClF3N2O2/c18-13-6-7-14(15-12(13)5-2-8-22-15)25-16(24)23-11-4-1-3-10(9-11)17(19,20)21/h1-9H,(H,23,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AJQUXBOOWNSFII-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.0382897 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H10ClF3N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.7 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=CC(=C1)NC(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=CC(=C1)NC(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 51.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.0382897 25 0 0 0 0 0 0 0 1 -1