66761820 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 7 8 8 9 9 9 11 11 12 12 12 13 13 15 15 16 10 14 6 7 10 14 26 27 8 11 12 14 17 9 13 10 18 19 15 23 20 21 22 16 24 16 25 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 7 4 14 12 17 2 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 5.855 4.5981 5.5443 6.1279 3.732 5.1871 3.732 6.8335 2.866 2.866 5.2483 6.0817 5.2933 4.7256 4.773 5.6486 3.732 3.732 2.3291 7.7508 6.7301 2.1867 1.1867 -0.0304 0.382 -1.7253 0.6867 -0.5685 1.6867 1.9915 1.1867 0.1867 -1.3128 2.1867 -0.7747 0.6867 1.6867 -0.4407 2.3007 2.5584 -0.8988 -1.7743 -1.7269 -0.4333 2.8067 0.3767 -1.8531 -2.1867 8 8 5 8 8 8 8 6 6 7 8 11 13 15 8 11 12 13 15 16 16 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 321 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 00000371C0733000040000000000000000000000000160000000300000000000000058010000001E02100000000C2AC1982432C083400000880225525000820000210700088801886688086032C197B1942008609600C8C8071C88808E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R)-2-(5-chloro-2-oxo-indolin-1-yl)propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R)-2-(5-chloro-2-oxo-3H-indol-1-yl)propanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2<I>R</I>)-2-(5-chloro-2-oxo-3<I>H</I>-indol-1-yl)propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R)-2-(5-chloro-2-oxo-3H-indol-1-yl)propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R)-2-(5-chloranyl-2-oxidanylidene-3H-indol-1-yl)propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R)-2-(5-chloro-2-keto-indolin-1-yl)propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H11ClN2O2/c1-6(11(13)16)14-9-3-2-8(12)4-7(9)5-10(14)15/h2-4,6H,5H2,1H3,(H2,13,16)/t6-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IPCGCGTVOJSBDM-ZCFIWIBFSA-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 CC(C(=O)N)N1C(=O)CC2=C1C=CC(=C2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C[C@H](C(=O)N)N1C(=O)CC2=C1C=CC(=C2)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 63.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.0509053 16 1 1 0 0 0 0 0 1 -1