25162783 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 44 45 46 47 48 49 50 51 52 53 54 17 8 8 8 7 7 6 6 6 6 6 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 1 1 1 1 1 2 3 4 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 9 10 10 10 10 11 11 12 12 13 13 14 14 15 15 16 16 18 18 18 19 19 19 21 21 22 22 23 23 24 25 25 26 27 27 27 8 17 20 24 27 17 18 19 20 21 47 11 12 13 17 11 14 15 12 14 16 28 13 15 16 29 30 31 32 33 34 35 36 37 38 39 40 41 20 42 43 44 45 46 22 23 24 48 25 49 26 26 50 51 52 53 54 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 9 12 14 16 28 3 1 10 13 15 16 29 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 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 3.673 4.9575 8.1141 11.9084 6.1822 8.5624 4.5092 3.673 2.8368 2.9819 4.5092 3.673 3.8876 2.8368 2.9819 2 5.2163 6.8893 6.441 7.8553 9.5283 10.2354 9.7871 11.2013 10.753 11.4601 12.8744 3.3444 2.8478 5.1198 4.7212 3.303 4.043 3.5782 4.4127 2.6247 2.2262 2.6383 2.3885 1.5188 1.8068 6.3815 7.1514 7.0399 6.6015 5.8422 8.4019 10.075 9.3487 10.9135 12.059 13.0348 13.4732 12.7139 2.4742 -1.6471 0.0953 -2.4742 -0.4223 -1.5777 0.0259 1.4742 0.0259 -0.4092 0.9915 -0.2768 -0.886 0.9915 0.6361 -0.4568 -0.6812 -1.1294 0.5436 -0.8706 -1.3189 -2.026 -0.3529 -1.7671 -0.0941 -0.8012 -2.2154 0.382 -1.0145 0.8838 1.5741 -0.7744 -0.7744 -1.4232 -1.2155 1.5741 0.8838 1.1522 0.4566 -0.066 -1.046 -1.4851 -1.6914 0.3831 1.1425 0.704 -2.1766 -2.6248 0.0855 0.5048 -0.6407 -2.8143 -2.0549 -1.6165 3 3 8 8 8 8 8 8 9 10 21 21 22 23 24 25 16 16 22 23 24 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 596 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000400000000000000000000000000000000003060C1830000000000010000001E02100000000F0EC1900632C683C004008800255250008208002122000888018E6E880C6632C5B1BB94302866D619C8E80798D8C38F00000002000000000000044400000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-chloro-N-[2-(3-methoxyanilino)-2-oxo-ethyl]-N-methyl-adamantane-1-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-chloro-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-adamantanecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-chloro-<I>N</I>-[2-(3-methoxyanilino)-2-oxoethyl]-<I>N</I>-methyladamantane-1-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-chloro-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyladamantane-1-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-chloranyl-N-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-adamantane-1-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-chloro-N-[2-keto-2-(m-anisidino)ethyl]-N-methyl-adamantane-1-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H27ClN2O3/c1-24(12-18(25)23-16-4-3-5-17(7-16)27-2)19(26)20-8-14-6-15(9-20)11-21(22,10-14)13-20/h3-5,7,14-15H,6,8-13H2,1-2H3,(H,23,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UEELNKUVRSLMNQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 390.1710204 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H27ClN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 390.9 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C23CC4CC(C2)CC(C4)(C3)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C23CC4CC(C2)CC(C4)(C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 58.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 390.1710204 27 2 0 2 0 0 0 0 1 -1