2973195 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 43 44 45 46 47 48 49 50 51 52 53 9 9 9 8 8 8 8 7 7 7 6 6 6 6 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 1 1 1 1 2 3 4 4 5 6 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 15 16 16 17 17 18 19 21 21 21 22 22 23 23 24 24 25 27 27 28 28 29 29 30 30 31 31 32 33 33 33 16 17 19 20 26 11 12 19 14 18 21 26 27 49 16 34 35 17 36 37 15 18 20 15 22 23 38 39 40 41 42 20 26 43 44 24 45 25 46 25 47 48 28 29 30 50 31 51 32 33 32 53 52 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 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 41 42 43 44 45 46 47 48 49 50 51 52 53 7.9059 9.1671 9.807 6.8994 6.6353 4.3211 6.6353 6.2781 4.6783 6.2781 5.6103 7.2566 4.6783 3.732 3.732 5.9209 7.5673 5.2619 5.9674 4.9889 4.9889 2.866 2.866 2 2 5.9674 7.2566 7.5673 7.9244 8.5458 8.903 9.2136 8.8564 5.0633 5.2277 7.2772 7.8704 5.9004 5.3071 8.1142 7.9498 5.8819 4.3751 4.9684 2.866 2.866 1.4631 1.4631 5.864 7.1532 7.7318 9.8203 9.317 -4.8546 -5.4945 -4.2333 5.4945 1.8986 3.181 -0.5357 3.5935 -0.1233 -2.2305 4.3378 3.7997 1.4862 0.1815 1.1815 5.2883 4.7502 0.6815 2.643 2.4367 -1.0738 -0.3185 1.6815 0.1815 1.1815 -1.28 -2.4367 -3.3872 -1.6924 -3.5935 -1.8986 -2.8492 -4.544 4.6298 3.8499 3.18 3.7123 5.9079 5.3756 4.4582 5.2381 0.6815 -1.1611 -1.6934 -0.9385 2.3015 -0.1285 1.4915 -2.692 -3.8487 -1.1031 -2.977 -1.4372 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 13 13 14 14 15 22 23 24 27 27 28 29 30 31 14 18 15 18 15 22 23 24 25 25 28 29 30 31 32 32 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 741 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B39800000000000000000000000000001600000003C608000000000005801F400001F00100000000C0CE19E163CC0F3CC1400A803B577540082802035022008D821B864D80A60FAC095B1972188609600D8C9C71C89C09E80000040000200000000008000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[3-(2-morpholino-2-oxo-acetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[3-[2-(4-morpholinyl)-1,2-dioxoethyl]-1-indolyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-<I>N</I>-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[3-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[3-(2-keto-2-morpholino-acetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H20F3N3O4/c24-23(25,26)15-4-3-5-16(12-15)27-20(30)14-29-13-18(17-6-1-2-7-19(17)29)21(31)22(32)28-8-10-33-11-9-28/h1-7,12-13H,8-11,14H2,(H,27,30) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UKWMAFFSHBHETQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 459.14059061 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H20F3N3O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 459.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)NC4=CC=CC(=C4)C(F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)NC4=CC=CC(=C4)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 80.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 459.14059061 33 0 0 0 0 0 0 0 1 -1