25149757 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 17 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 1 1 2 3 3 3 4 4 4 5 5 5 5 6 6 7 7 8 10 10 11 11 11 12 12 13 14 15 15 15 13 9 6 8 11 9 15 25 6 7 9 16 17 18 8 10 12 13 19 20 21 22 14 23 14 24 26 27 28 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 5 6 7 9 16 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 2 5.1871 5.5443 6.8335 5.5443 6.1279 4.5981 4.5981 5.855 3.732 5.855 3.732 2.866 2.866 7.1441 5.1068 6.5888 6.5888 3.732 5.2656 6.0476 6.4443 3.732 2.3291 7.2475 7.7334 7.3367 6.5548 0.4216 1.9212 -1.3831 1.3831 0.2264 -0.5784 -0.0784 -1.0784 1.1769 0.4216 -2.3336 -1.5784 -0.0784 -1.0784 2.3336 0.6657 -0.9931 -0.1636 1.0416 -2.5262 -2.9229 -2.141 -2.1984 -1.3884 0.9216 2.141 2.9229 2.5262 3 8 8 8 8 8 8 5 7 7 8 10 12 13 9 8 10 12 13 14 14 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 259 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000040000000000000000000000000160000000300000000000000058010000001E02100000000D0AC1982432C083C0000088022552500082000021070008888108668808203AC1D791842008609200C8C8071C88C08E80004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-N,1-dimethyl-indoline-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-N,1-dimethyl-2,3-dihydroindole-3-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-<I>N</I>,1-dimethyl-2,3-dihydroindole-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-N,1-dimethyl-2,3-dihydroindole-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloranyl-N,1-dimethyl-2,3-dihydroindole-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-N,1-dimethyl-indoline-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H13ClN2O/c1-13-11(15)9-6-14(2)10-4-3-7(12)5-8(9)10/h3-5,9H,6H2,1-2H3,(H,13,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OFEQFWDFZULXQC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.0716407 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H13ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.68 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CNC(=O)C1CN(C2=C1C=C(C=C2)Cl)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CNC(=O)C1CN(C2=C1C=C(C=C2)Cl)C 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 2021.05.07 224.0716407 15 1 0 1 0 0 0 0 1 -1