130380 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 33 34 35 36 37 38 39 40 41 42 43 17 17 8 7 7 6 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 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 15 15 15 16 16 17 17 18 18 18 19 20 20 19 21 14 6 11 14 7 12 13 7 8 22 9 23 10 24 25 10 26 27 28 29 16 17 30 31 32 33 34 35 15 18 36 37 19 38 20 39 40 41 42 21 21 43 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 6 4 7 8 22 1 1 7 5 6 9 23 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 33 34 35 36 37 38 39 40 41 42 43 2.866 4.5981 3.732 4.5981 5.2596 5.4641 5.5686 6.3776 6.5468 7.0468 4.5981 5.9287 4.2815 3.732 2.866 3.732 5.4641 2 3.732 5.4641 4.5981 4.9441 4.952 6.0677 6.8792 7.1132 6.3552 7.4616 7.5484 6.3895 6.3436 5.468 4.4104 3.675 4.1526 2.4675 3.2646 3.1951 6.001 2.31 1.4631 1.69 6.001 -2.5944 -3.5944 1.9056 0.4056 2.8512 0.9056 1.9002 0.4989 2.1081 1.2421 -0.5944 3.5944 3.0591 0.9056 0.4056 -1.0944 -1.0944 0.9056 -2.0944 -2.0944 -2.5944 1.2433 1.8354 -0.038 0.1345 2.3602 2.6977 0.7813 1.6065 3.1795 4.0551 4.0092 3.6656 3.188 2.4527 -0.0693 -0.0693 -0.7844 -0.7844 1.4426 1.2156 0.3687 -2.4044 5 6 8 8 8 8 8 8 6 7 11 11 16 17 19 20 4 5 16 17 19 20 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 364 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B2000060000000000000000000000000180000000300000000000000000010000001E0200000000082AC1902432C083000000880025525000820000210700088A41086688086022C19391942008608600C8C8071000000000004000020000040000800004000008000000001000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]propanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(3,4-dichlorophenyl)-<I>N</I>-[(1<I>R</I>,2<I>R</I>)-2-(dimethylamino)cyclopentyl]propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H22Cl2N2O/c1-4-16(21)20(11-8-9-12(17)13(18)10-11)15-7-5-6-14(15)19(2)3/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YCRFSKUCDBJWLX-HUUCEWRRSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 328.1109187 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H22Cl2N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 329.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC(=O)N(C1CCCC1N(C)C)C2=CC(=C(C=C2)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)C2=CC(=C(C=C2)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 23.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 328.1109187 21 2 2 0 0 0 0 0 1 -1