67247022 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 17 17 8 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 1 2 3 4 5 5 5 6 6 6 7 7 8 8 9 9 9 11 11 11 12 12 13 13 15 15 15 16 16 16 17 17 19 19 20 21 21 22 22 23 23 24 18 20 10 14 7 10 11 14 15 35 8 12 9 13 10 25 26 14 27 28 17 29 18 30 16 31 32 19 33 34 18 36 20 21 22 23 37 24 38 24 39 40 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 2 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 2 9.769 7.1279 7.5013 5.5443 7.1441 4.5981 4.5981 5.5443 6.1279 5.855 3.732 3.732 6.8335 8.1226 8.4333 2.866 2.866 9.4118 10.0796 9.7225 11.0582 10.701 11.3688 6.0817 5.2933 5.2411 5.8344 3.732 3.732 8.7364 8.1432 7.8195 8.4127 6.7301 2.3291 9.3084 11.4722 10.8936 11.9755 3.2158 -0.3643 2.2158 0.9987 1.4111 -0.6961 1.7158 2.7158 3.0206 2.2158 0.4606 1.2158 3.2158 0.2544 -0.9024 -1.8529 1.7158 2.7158 -2.0591 -1.3148 -3.0096 -1.521 -3.2158 -2.4715 3.3298 3.5875 0.3732 -0.1591 0.5958 3.8358 -0.815 -0.2827 -1.9402 -2.4726 -1.1576 1.4058 -3.4711 -1.0596 -3.8052 -2.5994 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 12 13 17 19 19 20 21 22 23 8 12 13 17 18 18 20 21 22 23 24 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 474 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3000060000000000000000000000000160000000306000000000000058014000001E02100000000C0AC1982430C083C00000880225525000820000210700088881886688086032C197B1942008609600C8C8071C88808E00004020000300000000804000060000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloro-2-oxo-indolin-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloro-2-oxo-3<I>H</I>-indol-1-yl)-<I>N</I>-[2-(2-chlorophenyl)ethyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloranyl-2-oxidanylidene-3H-indol-1-yl)-N-[2-(2-chlorophenyl)ethyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloro-2-keto-indolin-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H16Cl2N2O2/c19-14-5-6-16-13(9-14)10-18(24)22(16)11-17(23)21-8-7-12-3-1-2-4-15(12)20/h1-6,9H,7-8,10-11H2,(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QCZFTJQMHLBFKY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.0588831 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H16Cl2N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 363.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C2=C(C=CC(=C2)Cl)N(C1=O)CC(=O)NCCC3=CC=CC=C3Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C2=C(C=CC(=C2)Cl)N(C1=O)CC(=O)NCCC3=CC=CC=C3Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 49.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.0588831 24 0 0 0 0 0 0 0 1 -1