56118402 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 9 8 7 7 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 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 12 12 13 13 14 14 14 15 15 16 16 17 17 18 18 20 21 22 22 23 23 23 24 24 25 25 26 19 11 5 11 35 20 21 42 6 7 10 8 27 28 9 29 30 9 31 32 33 34 12 13 14 16 36 17 37 15 38 39 18 20 19 40 19 41 21 22 23 24 25 43 44 45 46 26 47 26 48 49 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 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 5.2626 6.6353 6.2781 4.6783 7.2566 7.4628 8.1235 8.4572 8.8655 6.7581 5.9674 7.2596 5.7581 4.9889 4.6783 6.7611 5.2596 3.732 5.7611 5.2619 3.732 2.866 6.2619 2.866 2 2 6.8461 7.4618 8.585 7.7599 8.3272 9.0465 9.4019 9.2308 5.864 7.8796 5.4472 4.9684 4.3751 7.072 4.6396 4.8709 2.866 6.2619 6.8819 6.2619 2.866 1.4631 1.4631 3.9899 -1.3787 0.3161 -3.4006 0.5224 -0.4562 1.0208 -0.5624 0.3504 1.3892 -0.6344 2.2544 1.391 -0.8406 -1.7911 3.1213 2.2579 -2.0959 3.123 -2.5959 -3.0959 -1.5959 -2.5959 -3.5959 -2.0959 -3.0959 -0.5199 -1.0762 1.4349 1.5231 -1.1686 -0.755 0.0395 0.8514 0.7776 2.2533 0.8546 -0.2209 -0.7533 3.6577 2.2589 -3.9899 -0.9759 -3.2159 -2.5959 -1.9759 -4.2159 -1.7859 -3.4059 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 10 10 12 13 15 15 16 17 18 18 21 22 24 25 20 21 12 13 16 17 18 20 19 19 21 22 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 496 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 2 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 00000371E07B21000000000000000000000000000001E200000030600000000000005801F400001F00100000000C88819E0832C0F2C99000A803257254008280202102200899213064980820F2C09591842008609400C8C8071C89C09E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1-(4-fluorophenyl)cyclopentyl]-2-(2-methyl-1H-indol-3-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1-(4-fluorophenyl)cyclopentyl]-2-(2-methyl-1H-indol-3-yl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[1-(4-fluorophenyl)cyclopentyl]-2-(2-methyl-1<I>H</I>-indol-3-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1-(4-fluorophenyl)cyclopentyl]-2-(2-methyl-1H-indol-3-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1-(4-fluorophenyl)cyclopentyl]-2-(2-methyl-1H-indol-3-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1-(4-fluorophenyl)cyclopentyl]-2-(2-methyl-1H-indol-3-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H23FN2O/c1-15-19(18-6-2-3-7-20(18)24-15)14-21(26)25-22(12-4-5-13-22)16-8-10-17(23)11-9-16/h2-3,6-11,24H,4-5,12-14H2,1H3,(H,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OHKOYAYRHYVFNQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 350.17944152 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H23FN2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 350.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C2=CC=CC=C2N1)CC(=O)NC3(CCCC3)C4=CC=C(C=C4)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C2=CC=CC=C2N1)CC(=O)NC3(CCCC3)C4=CC=C(C=C4)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 44.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 350.17944152 26 0 0 0 0 0 0 0 1 -1