70222393 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 17 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 9 9 10 10 11 12 13 14 14 14 11 13 6 8 18 5 13 19 6 7 15 16 17 8 9 10 11 20 12 21 12 22 14 23 24 25 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 5 4 6 7 15 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 2 7.5013 5.5443 5.855 5.5443 6.1279 4.5981 4.5981 3.732 3.732 2.866 2.866 6.8335 7.1441 5.1068 6.5888 6.5888 5.7369 5.4409 3.732 3.732 2.3291 7.7334 7.3367 6.5548 0.241 0.4582 -1.5637 0.9963 0.0458 -0.759 -0.259 -1.259 0.241 -1.759 -0.259 -1.259 1.2025 2.153 0.4851 -1.1737 -0.3442 -2.153 1.4578 0.861 -2.379 -1.569 1.9604 2.7424 2.3456 3 8 8 8 8 8 8 5 7 7 8 9 10 11 4 8 9 10 11 12 12 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 234 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000040000000000000000000000000160000000300000000000000058010000001E02100000000C2AC1982432C082C00000880225525000820000210700088880086688086022C1D391942008609600C8C8071080800E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloroindolin-3-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(5-chloro-2,3-dihydro-1<I>H</I>-indol-3-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloranyl-2,3-dihydro-1H-indol-3-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-chloroindolin-3-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H11ClN2O/c1-6(14)13-10-5-12-9-3-2-7(11)4-8(9)10/h2-4,10,12H,5H2,1H3,(H,13,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BCZBMSDJWKARBP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.0559907 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H11ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.66 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1CNC2=C1C=C(C=C2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1CNC2=C1C=C(C=C2)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 41.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.0559907 14 1 0 1 0 0 0 0 1 -1