16049783 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 9 8 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 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 9 9 10 11 11 11 12 12 13 14 14 15 15 16 16 16 17 18 18 19 19 20 20 21 21 22 22 23 24 24 25 25 26 26 27 28 28 29 17 13 4 6 8 5 30 31 7 32 33 10 12 11 34 35 9 36 10 13 37 16 38 39 17 18 14 15 20 19 21 40 41 42 24 25 43 22 26 23 44 28 45 23 46 47 27 48 27 49 29 50 51 29 52 53 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 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 4.308 9.1118 5.797 4.8025 4.3958 6.297 3.4013 6.4662 7.3797 7.2752 2.9945 5.8903 8.2457 8.2457 9.1118 2 4.8958 6.4781 9.1118 7.3797 10.0057 8.2457 7.3797 4.489 6.0714 10.0057 5.0768 10.9118 10.9118 4.2009 4.8458 4.9974 4.3525 2.7997 3.4445 6.3373 7.7359 3.5961 2.9513 2.0648 1.3834 1.9352 7.0947 6.8428 9.9985 8.2457 6.8428 3.8724 6.4358 9.9985 4.8246 11.4475 11.4475 -1.2073 0.2042 -0.1322 -0.0277 0.8859 -0.9982 0.9904 0.6109 0.2042 -0.7903 1.9039 -1.9118 0.7042 1.7042 2.2042 2.0085 -2.0163 -2.7208 3.2042 2.2042 1.6695 3.7042 3.2042 -2.9298 -3.6343 3.7389 -3.7389 2.1834 3.225 -0.1777 -0.6462 1.0359 1.5044 0.8404 0.3719 1.2174 -1.2052 2.0539 2.5224 2.6251 2.0733 1.3919 -2.656 1.8942 1.0496 4.3242 3.5142 -2.9947 -4.1359 4.3588 -4.3053 1.8713 3.5371 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 6 8 9 12 12 14 14 15 15 17 18 19 19 20 21 22 24 25 26 28 6 8 10 9 10 17 18 15 20 19 21 24 25 22 26 23 28 23 27 27 29 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 537 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A21000000000000000000000000000001600000003060C0000000000000C1D400001F00000000000C0CC19E0C3E80D30C1000A803B477440082802035022008D8213864D80820FAC09591842188608000C8C9C71C88C08E80000200001000000000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [5-(2-fluorophenyl)-1-pentyl-pyrrol-3-yl]-(1-naphthyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [5-(2-fluorophenyl)-1-pentyl-3-pyrrolyl]-(1-naphthalenyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [5-(2-fluorophenyl)-1-pentylpyrrol-3-yl]-naphthalen-1-ylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [5-(2-fluorophenyl)-1-pentylpyrrol-3-yl]-naphthalen-1-ylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [5-(2-fluorophenyl)-1-pentyl-pyrrol-3-yl]-naphthalen-1-yl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [1-amyl-5-(2-fluorophenyl)pyrrol-3-yl]-(1-naphthyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C26H24FNO/c1-2-3-8-16-28-18-20(17-25(28)23-13-6-7-15-24(23)27)26(29)22-14-9-11-19-10-4-5-12-21(19)22/h4-7,9-15,17-18H,2-3,8,16H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WYNZPDDTQGVCLZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 385.18419255 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C26H24FNO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 385.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCN1C=C(C=C1C2=CC=CC=C2F)C(=O)C3=CC=CC4=CC=CC=C43 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCN1C=C(C=C1C2=CC=CC=C2F)C(=O)C3=CC=CC4=CC=CC=C43 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 22 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 385.18419255 29 0 0 0 0 0 0 0 1 1