68279658 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 17 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 7 7 8 8 8 10 10 10 11 11 12 12 13 13 16 16 16 14 9 15 6 9 10 15 16 24 7 11 8 12 9 17 18 15 19 20 13 21 14 22 14 23 25 26 27 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 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 2 7.1279 7.5013 5.5443 7.1441 4.5981 4.5981 5.5443 6.1279 5.855 3.732 3.732 2.866 2.866 6.8335 8.1226 6.0817 5.2933 5.2411 5.8344 3.732 3.732 2.3291 6.7301 7.9948 8.7293 8.2505 2.1867 1.1867 -0.0304 0.382 -1.7253 0.6867 1.6867 1.9915 1.1867 -0.5685 0.1867 2.1867 0.6867 1.6867 -0.7747 -1.9315 2.3007 2.5584 -0.6559 -1.1882 -0.4333 2.8067 0.3767 -2.1867 -2.5382 -2.0593 -1.3248 8 8 8 8 8 8 6 6 7 11 12 13 7 11 12 13 14 14 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 308 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0733000040000000000000000000000000160000000300000000000000058010000001E02100000000C0AC1982432C083C00000880225525000820000210700088881886688086032C197B1942008609600C8C8071C88808E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloro-2-oxo-indolin-1-yl)-N-methyl-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-methylacetamide 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>-methylacetamide 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-methylacetamide 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-methyl-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-methyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H11ClN2O2/c1-13-10(15)6-14-9-3-2-8(12)4-7(9)5-11(14)16/h2-4H,5-6H2,1H3,(H,13,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SDIVZKDTMXILQJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.0509053 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H11ClN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.67 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CNC(=O)CN1C(=O)CC2=C1C=CC(=C2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CNC(=O)CN1C(=O)CC2=C1C=CC(=C2)Cl 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 2021.05.07 238.0509053 16 0 0 0 0 0 0 0 1 -1