60429824 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 9 9 9 8 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 1 2 3 4 5 5 5 6 6 6 7 7 7 8 8 9 10 11 11 11 12 12 13 13 14 14 14 16 16 17 18 18 19 19 20 20 21 21 21 22 23 24 24 24 15 9 10 27 15 18 35 8 9 11 10 12 14 13 15 25 26 16 28 17 29 30 31 32 17 33 34 19 20 22 36 23 37 22 23 24 38 39 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 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 9.9859 11.1706 10.3983 6.6353 4.6783 6.2781 4.6783 3.732 5.2619 3.732 4.9889 2.866 2.866 6.2619 5.9674 2 2 7.2566 7.9244 7.5673 9.2136 8.903 8.5458 10.1921 4.9684 4.3751 4.8709 2.866 2.866 6.2619 6.8819 6.2619 1.4631 1.4631 5.864 7.7318 7.1532 9.317 8.7384 3.0547 2.2824 1.0977 -0.4435 -2.4654 1.2513 -0.8559 -1.1607 -1.6607 -2.1607 0.0946 -0.6607 -2.6607 -1.6607 0.3008 -1.1607 -2.1607 1.4575 0.7133 2.4081 1.87 0.9195 2.6143 2.0762 0.7143 0.1819 -3.0547 -0.0407 -3.2807 -2.2807 -1.6607 -1.0407 -0.8507 -2.4707 1.7128 0.1239 2.8695 0.458 3.2036 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 8 8 10 12 13 16 18 18 19 20 21 21 9 10 8 9 10 12 13 16 17 17 19 20 22 23 22 23 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 446 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B218000000000000000000000000000016000000030600000000000005801F400001F00100000000C08819E1032C0F2C99000A803257254008280202102200899213064980820F2C09591842008609400C8C8071C89C09E88000000000200001000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methyl-1H-indol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methyl-1H-indol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methyl-1<I>H</I>-indol-3-yl)-<I>N</I>-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methyl-1H-indol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methyl-1H-indol-3-yl)-N-[4-(trifluoromethyl)phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methyl-1H-indol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H15F3N2O/c1-11-15(14-4-2-3-5-16(14)22-11)10-17(24)23-13-8-6-12(7-9-13)18(19,20)21/h2-9,22H,10H2,1H3,(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PQCMIEJZRRYRLP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.11364759 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H15F3N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)C(F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 44.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 332.11364759 24 0 0 0 0 0 0 0 1 -1