67218627 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 55 56 57 58 59 60 61 9 9 8 8 8 7 7 7 6 6 6 6 6 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 5 5 6 6 6 7 7 7 8 8 8 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 15 15 16 17 18 18 19 19 20 20 21 22 22 23 23 24 25 25 26 26 27 27 28 29 29 30 30 31 31 32 32 33 34 34 34 14 16 21 34 13 16 45 14 15 46 17 25 48 10 11 35 36 12 37 38 13 39 40 14 41 42 43 44 17 19 18 20 21 23 22 47 24 49 26 24 50 27 52 51 29 30 28 53 28 54 55 31 56 32 57 33 58 33 59 60 61 1 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 2 1 2 1 2 1 1 1 1 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 1 1 1 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 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 2 2.866 11.5263 5.4641 3.732 6.3301 12.3923 14.1244 8.9282 9.7942 8.0622 10.6603 7.1962 11.5263 13.2583 5.4641 14.1244 4.5981 13.2583 14.9904 3.732 14.1244 4.5981 14.9904 14.9904 2.866 3.732 2.866 15.8564 14.9904 16.7224 15.8564 16.7224 2.866 9.3267 8.5297 9.3957 10.1928 7.6636 8.4607 11.0588 10.2617 7.5947 6.7976 6.3301 12.3923 12.7214 13.5874 15.5273 14.1244 15.5273 5.135 2.3291 3.732 2.3291 15.8564 14.4534 17.2594 15.8564 17.2594 2.866 0.5 2 -2 0.5 0.5 -1 -0.5 0.5 -0.5 -1 -1 -0.5 -0.5 -1 -1 -0.5 -0.5 -1 -2 -1 -0.5 -2.5 -2 -2 1 -1 -2.5 -2 0.5 2 1 2.5 2 1 -0.0251 -0.0251 -1.475 -1.475 -1.475 -1.475 -0.0251 -0.0251 -0.0251 -0.0251 -1.62 0.12 -2.31 0.81 -0.69 -3.12 -2.31 -2.31 -0.69 -3.12 -2.31 -0.12 2.31 0.69 3.12 2.31 0.38 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 15 15 17 18 18 19 20 21 22 23 25 25 26 27 29 30 31 32 17 19 20 21 23 22 24 26 24 27 29 30 28 28 31 32 33 33 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 616 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 12 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B31800000000000000000000000000000000000003060C0000000000000015000001F00100000000C0CC1981630C682C004008802255250008208002522000888810E7CC80C6676C4B59B94316866F611C8E98798C8208E00000000000800200000000000100040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[6-(2-anilinoanilino)-6-oxo-hexyl]-2-(difluoromethoxy)benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[bis(fluoranyl)methoxy]-N-[6-oxidanylidene-6-[(2-phenylazanylphenyl)amino]hexyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[6-(2-anilinoanilino)-6-keto-hexyl]-2-(difluoromethoxy)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C26H27F2N3O3/c27-26(28)34-23-16-9-6-13-20(23)25(33)29-18-10-2-5-17-24(32)31-22-15-8-7-14-21(22)30-19-11-3-1-4-12-19/h1,3-4,6-9,11-16,26,30H,2,5,10,17-18H2,(H,29,33)(H,31,32) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LZPZMIGVQKZIOB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 467.20204806 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C26H27F2N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 467.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)NC2=CC=CC=C2NC(=O)CCCCCNC(=O)C3=CC=CC=C3OC(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)NC2=CC=CC=C2NC(=O)CCCCCNC(=O)C3=CC=CC=C3OC(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 79.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 467.20204806 34 0 0 0 0 0 0 0 1 -1