60737636 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 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 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 7 8 8 8 9 9 10 10 11 11 11 13 13 14 15 15 16 16 17 17 18 18 19 19 20 12 6 7 23 12 15 31 5 6 8 7 9 11 10 12 21 22 13 24 14 25 26 27 28 14 29 30 16 17 18 32 19 33 20 34 20 35 36 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 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 7.5673 7.9244 8.5458 8.903 9.2136 4.9684 4.3751 4.8709 2.866 2.866 6.2619 6.8819 6.2619 1.4631 1.4631 5.864 7.1532 7.7318 8.7384 9.317 9.8203 -0.2233 -2.2452 1.4715 -0.6357 -0.9404 -1.4404 -1.9404 0.3148 -0.4404 -2.4404 -1.4404 0.521 -0.9404 -1.9404 1.6778 2.6283 0.9335 2.8345 1.1397 2.0902 0.9345 0.4022 -2.8345 0.1796 -3.0604 -2.0604 -1.4404 -0.8204 -0.6304 -2.2504 1.933 3.0898 0.3441 3.4238 0.6782 2.2181 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 7 9 10 13 15 15 16 17 18 19 6 7 5 6 7 9 10 13 14 14 16 17 18 19 20 20 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 338 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 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 00000371E07B200000000000000000000000000000016000000030600000000000005801F400001E00100000000C08819E0032C0F2C99000A803257254008280202102200899213064980820F2C09591842008609400C8C8071C89C09E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methyl-1H-indol-3-yl)-N-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-phenylacetamide 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>-phenylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methyl-1H-indol-3-yl)-N-phenylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methyl-1H-indol-3-yl)-N-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-phenyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H16N2O/c1-12-15(14-9-5-6-10-16(14)18-12)11-17(20)19-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3,(H,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RIJVSMSJVALVQD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.126263138 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H16N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3 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 2021.05.07 264.126263138 20 0 0 0 0 0 0 0 1 -1