43553237 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 17 8 8 7 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 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 11 11 11 12 12 13 13 14 14 14 15 16 15 10 17 7 11 19 9 10 22 17 28 29 8 10 18 9 12 13 14 20 21 15 23 16 24 17 25 26 16 27 1 2 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 7 4 8 10 18 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 2 7.1279 8.7905 5.855 5.5443 8.4333 5.5443 4.5981 4.5981 6.1279 6.8335 3.732 3.732 7.1441 2.866 2.866 8.1226 5.1068 5.4409 6.854 7.4473 5.7369 3.732 3.732 7.1236 6.5303 2.3291 9.04 8.0192 -0.5681 -1.5681 0.8058 0.1872 -2.3728 2.5007 -0.7633 -1.0681 -2.0681 -1.5681 0.3934 -0.5681 -2.5681 1.3439 -1.0681 -2.0681 1.5501 -0.324 0.6486 -0.2263 0.306 -2.9621 0.0519 -3.1881 1.9636 1.4313 -2.3781 2.6285 2.9621 3 8 8 8 8 8 8 7 8 8 9 12 13 15 4 9 12 13 15 16 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 324 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0733000040000000000000000000000000160000000300000000000000058010000001E02100000000C2AC1982430C082C0000088022552500082000021070008888188668808603AC1D7B1942008609400C8C8071C88808E00004020000200000000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(5-chloro-2-oxo-indolin-3-yl)amino]propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(5-chloranyl-2-oxidanylidene-1,3-dihydroindol-3-yl)amino]propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(5-chloro-2-keto-indolin-3-yl)amino]propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H12ClN3O2/c12-6-1-2-8-7(5-6)10(11(17)15-8)14-4-3-9(13)16/h1-2,5,10,14H,3-4H2,(H2,13,16)(H,15,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RWWDLQGOXIYAGH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.0618043 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H12ClN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.68 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C=C1Cl)C(C(=O)N2)NCCC(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C(C=C1Cl)C(C(=O)N2)NCCC(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 84.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.0618043 17 1 0 1 0 0 0 0 1 -1