56151009 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 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 2 3 4 5 6 6 6 7 7 7 8 8 8 9 9 10 11 12 12 12 13 13 14 14 14 15 15 17 17 18 19 19 20 20 21 21 22 22 23 24 23 25 25 25 16 10 11 28 16 19 36 9 10 12 11 13 14 15 16 26 27 17 29 30 31 32 18 33 18 34 35 20 22 21 37 23 25 24 38 24 39 1 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 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 10.1921 10.2386 10.3151 8.8265 6.6353 4.6783 6.2781 4.6783 3.732 5.2619 3.732 4.9889 2.866 6.2619 2.866 5.9674 2 2 7.2566 7.9244 8.903 7.5673 9.2136 8.5458 9.5708 4.9684 4.3751 4.8709 2.866 6.2619 6.8819 6.2619 2.866 1.4631 1.4631 5.864 7.7318 7.1532 8.7384 2.2964 -0.3489 1.0632 -0.2725 -0.2233 -2.2452 1.4715 -0.6357 -0.9404 -1.4404 -1.9404 0.3148 -0.4404 -1.4404 -2.4404 0.521 -0.9404 -1.9404 1.6778 0.9335 1.1397 2.6283 2.0902 2.8345 0.3954 0.9345 0.4022 -2.8345 0.1796 -2.0604 -1.4404 -0.8204 -3.0604 -0.6304 -2.2504 1.933 0.3441 3.0898 3.4238 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 8 9 9 11 13 15 17 19 19 20 21 22 23 10 11 9 10 11 13 15 17 18 18 20 22 21 23 24 24 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 484 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 00000371C07B21C000000000000000000000000000016000000030600000000000005801F400001F00100000000C08819E1832C0F2C99000A803257254008280202102200899213064980820F2C09591842008609400C8C8071C89C09E80000040000200000000008000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1<I>H</I>-indol-3-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H14F4N2O/c1-10-13(12-4-2-3-5-16(12)23-10)9-17(25)24-11-6-7-15(19)14(8-11)18(20,21)22/h2-8,23H,9H2,1H3,(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RUMAXFIPSYWHSH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.10422572 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H14F4N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.3 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)F)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)F)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 2021.05.07 350.10422572 25 0 0 0 0 0 0 0 1 -1