61149045 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 32 17 8 7 7 6 6 6 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 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 10 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 18 19 9 5 8 23 9 14 26 6 9 20 7 21 22 8 10 11 12 24 13 25 13 27 28 15 16 17 29 18 30 19 31 19 32 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 5 3 6 9 20 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 28 29 30 31 32 10.7619 6.7619 4.6783 6.7619 5.2619 4.6783 3.732 3.732 6.2619 2.866 2.866 2 2 7.7619 8.2619 8.2619 9.2619 9.2619 9.7619 5.5436 5.2156 4.4272 4.8709 2.866 2.866 6.4519 1.4631 1.4631 7.9519 7.9519 9.5719 9.5719 0.697 -1.035 -0.9737 0.697 -0.169 0.6357 0.331 -0.669 -0.169 0.831 -1.169 0.331 -0.669 0.697 -0.169 1.563 -0.169 1.563 0.697 -0.7213 0.945 1.2026 -1.563 1.451 -1.789 1.234 0.641 -0.979 -0.7059 2.1 -0.7059 2.1 5 8 8 8 8 8 8 8 8 8 8 8 8 5 7 7 8 10 11 12 14 14 15 16 17 18 9 8 10 11 12 13 13 15 16 17 18 19 19 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 328 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000040000000000000000000000000160000000306000000000000058014000001E02100000000C2AC1982430C082C00000880225525000820000210700088881886688086032C193B1942008609400C8C8071889809E00004000000200000000800000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2S)-N-(4-chlorophenyl)indoline-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2S)-N-(4-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2<I>S</I>)-<I>N</I>-(4-chlorophenyl)-2,3-dihydro-1<I>H</I>-indole-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2S)-N-(4-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2S)-N-(4-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2S)-N-(4-chlorophenyl)indoline-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H13ClN2O/c16-11-5-7-12(8-6-11)17-15(19)14-9-10-3-1-2-4-13(10)18-14/h1-8,14,18H,9H2,(H,17,19)/t14-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YLDLBQCDENXUMH-AWEZNQCLSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 272.0716407 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H13ClN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 272.73 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(NC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1[C@H](NC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)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 2021.05.07 272.0716407 19 1 1 0 0 0 0 0 1 -1