56297283 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 9 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 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 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 15 16 16 17 18 18 19 19 19 20 21 22 24 24 25 25 25 26 26 27 28 27 23 6 12 40 17 22 47 18 23 48 7 8 29 9 30 31 10 32 33 11 34 35 11 36 37 38 39 13 14 20 41 21 42 16 17 19 22 24 25 20 21 23 43 44 45 46 26 27 49 50 51 52 28 53 28 54 1 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 2 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 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 2 7.5013 11.0582 5.5443 7.1441 11.3688 12.3473 10.701 12.658 11.0116 11.9901 10.0796 9.4118 9.769 5.5443 4.5981 6.1279 8.1226 5.855 8.4333 8.7905 4.5981 6.8335 3.732 7.1279 3.732 2.866 2.866 11.7829 12.3679 12.9611 10.154 10.3184 13.2049 13.0405 10.9911 10.3978 12.5165 11.7589 11.4722 9.6044 10.183 5.8344 5.2411 8.0192 8.5979 5.7369 6.7301 3.732 7.1279 7.7479 7.1279 3.732 2.3291 -1.5972 -1.38 1.1397 -3.4019 0.3148 2.0902 2.2964 2.8345 3.2469 3.785 3.9912 0.9335 1.6778 -0.0171 -1.7924 -2.0972 -2.5972 0.521 -0.8419 1.4715 -0.2233 -3.0972 -0.6357 -1.5972 -2.5972 -3.5972 -2.0972 -3.0972 1.6287 1.6768 2.2091 3.1265 2.3466 2.9549 3.7348 4.4047 3.8724 4.3189 4.5665 0.6782 2.2671 -0.4785 -0.2223 -0.7546 1.933 -0.8126 -3.9912 0.7763 -0.9772 -3.2172 -2.5972 -1.9772 -4.2172 -3.4072 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 12 12 13 14 15 15 16 16 18 18 22 24 26 27 17 22 13 14 20 21 16 17 22 24 20 21 26 27 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 516 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B21000000000000000000000000000001600000003060C000000000005801F400001F00100000000C28C19E0C32C0F2C99000A803257254008280202102200899A13864980820F2C09591842008609400C8C8071C89C09E80008000000200000001000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(cyclohexylamino)phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(cyclohexylamino)phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-(cyclohexylamino)phenyl]-2-(5-fluoro-2-methyl-1<I>H</I>-indol-3-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(cyclohexylamino)phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(cyclohexylamino)phenyl]-2-(5-fluoranyl-2-methyl-1H-indol-3-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(cyclohexylamino)phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H26FN3O/c1-15-20(21-13-16(24)7-12-22(21)25-15)14-23(28)27-19-10-8-18(9-11-19)26-17-5-3-2-4-6-17/h7-13,17,25-26H,2-6,14H2,1H3,(H,27,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QUBBWKKGHDZHHR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 379.20599062 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H26FN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 379.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC3=CC=C(C=C3)NC4CCCCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC3=CC=C(C=C3)NC4CCCCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 56.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 379.20599062 28 0 0 0 0 0 0 0 1 -1