54594426 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 17 8 7 7 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 2 3 3 3 4 4 4 5 5 5 5 6 6 7 7 8 8 8 9 10 10 12 12 13 14 15 15 15 16 16 16 13 11 6 9 22 11 15 16 6 7 8 17 18 19 9 10 11 20 21 12 13 23 14 24 14 25 26 27 28 29 30 31 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 5 6 7 8 17 3 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 2 7.5013 5.5443 7.1441 5.5443 6.1279 4.5981 5.855 4.5981 3.732 6.8335 3.732 2.866 2.866 8.1226 6.4763 5.1068 6.5888 6.5888 5.8344 5.2411 5.7369 3.732 3.732 2.3291 8.2505 8.7293 7.9948 6.9378 6.0622 6.0148 -0.1311 0.0861 -1.9358 1.7809 -0.3264 -1.1311 -0.6311 0.6241 -1.6311 -0.1311 0.8304 -2.1311 -0.6311 -1.6311 1.9871 2.5252 0.113 -1.5458 -0.7164 1.2438 0.7115 -2.5252 0.4889 -2.7511 -1.9411 1.3804 2.115 2.5938 2.9392 2.9866 2.1111 3 8 8 8 8 8 8 5 7 7 9 10 12 13 8 9 10 12 13 14 14 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 270 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 00000371C0732000040000000000000000000000000160000000300000000000000058010000001E02100000000D0AC1982432C083C00000880225525000820000210700088881086688082032C19391842008609200C8C8071C89C09E80004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloroindolin-3-yl)-N,N-dimethyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloro-2,3-dihydro-1<I>H</I>-indol-3-yl)-<I>N</I>,<I>N</I>-dimethylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloranyl-2,3-dihydro-1H-indol-3-yl)-N,N-dimethyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-chloroindolin-3-yl)-N,N-dimethyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H15ClN2O/c1-15(2)12(16)5-8-7-14-11-4-3-9(13)6-10(8)11/h3-4,6,8,14H,5,7H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PTXOWJMPCITEGY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.0872908 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H15ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.71 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)C(=O)CC1CNC2=C1C=C(C=C2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)C(=O)CC1CNC2=C1C=C(C=C2)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 32.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.0872908 16 1 0 1 0 0 0 0 1 -1