N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate

C194H200BrF9N12O25 — CID 164965160

IUPACN-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate
SMILESCCOC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.CNC(=O)CCCCCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.COC(=O)CCCCCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.Nc1cc(F)ccc1NC(=O)CCCCCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.O=C(/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1)CCCCCCC(=O)NO.O=C(NC1CCc2cc(Br)ccc21)c1ccc(F)cc1.O=C(O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.O=C(O)CCCCCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1
InChIInChI=1S/C32H33F2N3O3.C27H31FN2O3.C27H30FNO4.C26H29FN2O4.C26H28FNO4.C21H20FNO3.C19H16FNO3.C16H13BrFNO/c33-24-12-9-22(10-13-24)32(40)37-29-17-11-23-19-21(8-16-27(23)29)7-15-26(38)5-3-1-2-4-6-31(39)36-30-18-14-25(34)20-28(30)35;1-29-26(32)7-5-3-2-4-6-23(31)15-8-19-9-16-24-21(18-19)12-17-25(24)30-27(33)20-10-13-22(28)14-11-20;1-33-26(31)7-5-3-2-4-6-23(30)15-8-19-9-16-24-21(18-19)12-17-25(24)29-27(32)20-10-13-22(28)14-11-20;27-21-12-9-19(10-13-21)26(32)28-24-16-11-20-17-18(8-15-23(20)24)7-14-22(30)5-3-1-2-4-6-25(31)29-33;27-21-12-9-19(10-13-21)26(32)28-24-16-11-20-17-18(8-15-23(20)24)7-14-22(29)5-3-1-2-4-6-25(30)31;1-2-26-20(24)12-4-14-3-10-18-16(13-14)7-11-19(18)23-21(25)15-5-8-17(22)9-6-15;20-15-6-3-13(4-7-15)19(24)21-17-9-5-14-11-12(1-8-16(14)17)2-10-18(22)23;17-12-4-7-14-11(9-12)3-8-15(14)19-16(20)10-1-5-13(18)6-2-10/h7-10,12-16,18-20,29H,1-6,11,17,35H2,(H,36,39)(H,37,40);8-11,13-16,18,25H,2-7,12,17H2,1H3,(H,29,32)(H,30,33);8-11,13-16,18,25H,2-7,12,17H2,1H3,(H,29,32);7-10,12-15,17,24,33H,1-6,11,16H2,(H,28,32)(H,29,31);7-10,12-15,17,24H,1-6,11,16H2,(H,28,32)(H,30,31);3-6,8-10,12-13,19H,2,7,11H2,1H3,(H,23,25);1-4,6-8,10-11,17H,5,9H2,(H,21,24)(H,22,23);1-2,4-7,9,15H,3,8H2,(H,19,20)/b15-7+;2*15-8+;2*14-7+;12-4+;10-2+;
InChIKeyCJQXRLSDRXMAEG-ZXWNUZRYSA-N
MW3350.68 g/mol
LogP37.86
Rot. Bonds67

About N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate

N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate (PubChem CID 164965160) has the molecular formula C194H200BrF9N12O25 and a molecular weight of 3350.68 g/mol. Its IUPAC name is N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate.

Molecular Properties

Compound NameN-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate
PubChem CID164965160
Molecular FormulaC194H200BrF9N12O25
Molecular Weight3350.68 g/mol
Exact Mass3347.38
IUPAC NameN-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate
SMILESCCOC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.CNC(=O)CCCCCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.COC(=O)CCCCCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.Nc1cc(F)ccc1NC(=O)CCCCCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.O=C(/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1)CCCCCCC(=O)NO.O=C(NC1CCc2cc(Br)ccc21)c1ccc(F)cc1.O=C(O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.O=C(O)CCCCCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1
InChIInChI=1S/C32H33F2N3O3.C27H31FN2O3.C27H30FNO4.C26H29FN2O4.C26H28FNO4.C21H20FNO3.C19H16FNO3.C16H13BrFNO/c33-24-12-9-22(10-13-24)32(40)37-29-17-11-23-19-21(8-16-27(23)29)7-15-26(38)5-3-1-2-4-6-31(39)36-30-18-14-25(34)20-28(30)35;1-29-26(32)7-5-3-2-4-6-23(31)15-8-19-9-16-24-21(18-19)12-17-25(24)30-27(33)20-10-13-22(28)14-11-20;1-33-26(31)7-5-3-2-4-6-23(30)15-8-19-9-16-24-21(18-19)12-17-25(24)29-27(32)20-10-13-22(28)14-11-20;27-21-12-9-19(10-13-21)26(32)28-24-16-11-20-17-18(8-15-23(20)24)7-14-22(30)5-3-1-2-4-6-25(31)29-33;27-21-12-9-19(10-13-21)26(32)28-24-16-11-20-17-18(8-15-23(20)24)7-14-22(29)5-3-1-2-4-6-25(30)31;1-2-26-20(24)12-4-14-3-10-18-16(13-14)7-11-19(18)23-21(25)15-5-8-17(22)9-6-15;20-15-6-3-13(4-7-15)19(24)21-17-9-5-14-11-12(1-8-16(14)17)2-10-18(22)23;17-12-4-7-14-11(9-12)3-8-15(14)19-16(20)10-1-5-13(18)6-2-10/h7-10,12-16,18-20,29H,1-6,11,17,35H2,(H,36,39)(H,37,40);8-11,13-16,18,25H,2-7,12,17H2,1H3,(H,29,32)(H,30,33);8-11,13-16,18,25H,2-7,12,17H2,1H3,(H,29,32);7-10,12-15,17,24,33H,1-6,11,16H2,(H,28,32)(H,29,31);7-10,12-15,17,24H,1-6,11,16H2,(H,28,32)(H,30,31);3-6,8-10,12-13,19H,2,7,11H2,1H3,(H,23,25);1-4,6-8,10-11,17H,5,9H2,(H,21,24)(H,22,23);1-2,4-7,9,15H,3,8H2,(H,19,20)/b15-7+;2*15-8+;2*14-7+;12-4+;10-2+;
InChIKeyCJQXRLSDRXMAEG-ZXWNUZRYSA-N
XLogP37.86
TPSA578.90 Ų
H-Bond Donors15
H-Bond Acceptors24
Rotatable Bonds67
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003350.68
LogP ≤ 537.86
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate with MolForge

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Related Compounds

CID 165012257
CID 165012257
(E)-3-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-methyl-N-[6-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;6-bromo-2,3-dihydroinden-1-one;6-bromo-N-methyl-2,3-dihydro-1H-inden-1-amine;ethyl (E)-3-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 165034813
N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzamide
CID 165100316
5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(dimethylamino)benzamide;(E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(dimethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(dimethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 164958558
N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 165064712
N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;(E)-10-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate
CID 165103614
N-[5-[10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;10-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl 10-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate
CID 168266316

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate?
The IUPAC name of N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate (CID 164965160) is N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate.
What is the SMILES notation for N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate?
The canonical SMILES for N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate is CCOC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.CNC(=O)CCCCCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.COC(=O)CCCCCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.Nc1cc(F)ccc1NC(=O)CCCCCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.O=C(/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1)CCCCCCC(=O)NO.O=C(NC1CCc2cc(Br)ccc21)c1ccc(F)cc1.O=C(O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.O=C(O)CCCCCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate?
The InChIKey is CJQXRLSDRXMAEG-ZXWNUZRYSA-N. The full InChI is InChI=1S/C32H33F2N3O3.C27H31FN2O3.C27H30FNO4.C26H29FN2O4.C26H28FNO4.C21H20FNO3.C19H16FNO3.C16H13BrFNO/c33-24-12-9-22(10-13-24)32(40)37-29-17-11-23-19-21(8-16-27(23)29)7-15-26(38)5-3-1-2-4-6-31(39)36-30-18-14-25(34)20-28(30)35;1-29-26(32)7-5-3-2-4-6-23(31)15-8-19-9-16-24-21(18-19)12-17-25(24)30-27(33)20-10-13-22(28)14-11-20;1-33-26(31)7-5-3-2-4-6-23(30)15-8-19-9-16-24-21(18-19)12-17-25(24)29-27(32)20-10-13-22(28)14-11-20;27-21-12-9-19(10-13-21)26(32)28-24-16-11-20-17-18(8-15-23(20)24)7-14-22(30)5-3-1-2-4-6-25(31)29-33;27-21-12-9-19(10-13-21)26(32)28-24-16-11-20-17-18(8-15-23(20)24)7-14-22(29)5-3-1-2-4-6-25(30)31;1-2-26-20(24)12-4-14-3-10-18-16(13-14)7-11-19(18)23-21(25)15-5-8-17(22)9-6-15;20-15-6-3-13(4-7-15)19(24)21-17-9-5-14-11-12(1-8-16(14)17)2-10-18(22)23;17-12-4-7-14-11(9-12)3-8-15(14)19-16(20)10-1-5-13(18)6-2-10/h7-10,12-16,18-20,29H,1-6,11,17,35H2,(H,36,39)(H,37,40);8-11,13-16,18,25H,2-7,12,17H2,1H3,(H,29,32)(H,30,33);8-11,13-16,18,25H,2-7,12,17H2,1H3,(H,29,32);7-10,12-15,17,24,33H,1-6,11,16H2,(H,28,32)(H,29,31);7-10,12-15,17,24H,1-6,11,16H2,(H,28,32)(H,30,31);3-6,8-10,12-13,19H,2,7,11H2,1H3,(H,23,25);1-4,6-8,10-11,17H,5,9H2,(H,21,24)(H,22,23);1-2,4-7,9,15H,3,8H2,(H,19,20)/b15-7+;2*15-8+;2*14-7+;12-4+;10-2+;.
What are the key properties of N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate?
N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate has a molecular weight of 3350.68 g/mol, XLogP of 37.86, 67 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate is sourced from PubChem (CID 164965160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).