(E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate

C154H148Br3F36N7O15 — CID 164978729

IUPAC(E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
SMILESCC(C)(C)OC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCc2cc(/C=C/C(=O)O)ccc21.CC(C)(C)OC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCc2cc(Br)ccc21.CCC(=O)/C=C/c1ccc2c(c1)CCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C.CCOC(=O)/C=C/c1ccc2c(c1)CCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C.FC(F)(F)c1cc(CNC2CCc3cc(Br)ccc32)cc(C(F)(F)F)c1.NC1CCc2cc(Br)ccc21.O=C(/C=C/c1ccc2c(c1)CCC2NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CO
InChIInChI=1S/C28H29F6NO4.C28H29F6NO3.C26H25F6NO4.C23H22BrF6NO2.C22H19F6NO2.C18H14BrF6N.C9H10BrN/c1-5-38-24(36)11-7-17-6-9-22-19(12-17)8-10-23(22)35(25(37)39-26(2,3)4)16-18-13-20(27(29,30)31)15-21(14-18)28(32,33)34;1-5-22(36)9-6-17-7-10-23-19(12-17)8-11-24(23)35(25(37)38-26(2,3)4)16-18-13-20(27(29,30)31)15-21(14-18)28(32,33)34;1-24(2,3)37-23(36)33(14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)21-8-6-17-10-15(4-7-20(17)21)5-9-22(34)35;1-21(2,3)33-20(32)31(19-7-4-14-10-17(24)5-6-18(14)19)12-13-8-15(22(25,26)27)11-16(9-13)23(28,29)30;23-21(24,25)16-8-14(9-17(10-16)22(26,27)28)11-29-20-6-3-15-7-13(2-5-19(15)20)1-4-18(31)12-30;19-14-2-3-15-11(7-14)1-4-16(15)26-9-10-5-12(17(20,21)22)8-13(6-10)18(23,24)25;10-7-2-3-8-6(5-7)1-4-9(8)11/h6-7,9,11-15,23H,5,8,10,16H2,1-4H3;6-7,9-10,12-15,24H,5,8,11,16H2,1-4H3;4-5,7,9-13,21H,6,8,14H2,1-3H3,(H,34,35);5-6,8-11,19H,4,7,12H2,1-3H3;1-2,4-5,7-10,20,29-30H,3,6,11-12H2;2-3,5-8,16,26H,1,4,9H2;2-3,5,9H,1,4,11H2/b11-7+;9-6+;9-5+;;4-1+;;
InChIKeyFDWHDEPZAOMLIM-SZBHUXGPSA-N
MW3260.55 g/mol
LogP44.76
Rot. Bonds29

About (E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate

(E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate (PubChem CID 164978729) has the molecular formula C154H148Br3F36N7O15 and a molecular weight of 3260.55 g/mol. Its IUPAC name is (E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate.

Molecular Properties

Compound Name(E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
PubChem CID164978729
Molecular FormulaC154H148Br3F36N7O15
Molecular Weight3260.55 g/mol
Exact Mass3255.80
IUPAC Name(E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
SMILESCC(C)(C)OC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCc2cc(/C=C/C(=O)O)ccc21.CC(C)(C)OC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCc2cc(Br)ccc21.CCC(=O)/C=C/c1ccc2c(c1)CCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C.CCOC(=O)/C=C/c1ccc2c(c1)CCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C.FC(F)(F)c1cc(CNC2CCc3cc(Br)ccc32)cc(C(F)(F)F)c1.NC1CCc2cc(Br)ccc21.O=C(/C=C/c1ccc2c(c1)CCC2NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CO
InChIInChI=1S/C28H29F6NO4.C28H29F6NO3.C26H25F6NO4.C23H22BrF6NO2.C22H19F6NO2.C18H14BrF6N.C9H10BrN/c1-5-38-24(36)11-7-17-6-9-22-19(12-17)8-10-23(22)35(25(37)39-26(2,3)4)16-18-13-20(27(29,30)31)15-21(14-18)28(32,33)34;1-5-22(36)9-6-17-7-10-23-19(12-17)8-11-24(23)35(25(37)38-26(2,3)4)16-18-13-20(27(29,30)31)15-21(14-18)28(32,33)34;1-24(2,3)37-23(36)33(14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)21-8-6-17-10-15(4-7-20(17)21)5-9-22(34)35;1-21(2,3)33-20(32)31(19-7-4-14-10-17(24)5-6-18(14)19)12-13-8-15(22(25,26)27)11-16(9-13)23(28,29)30;23-21(24,25)16-8-14(9-17(10-16)22(26,27)28)11-29-20-6-3-15-7-13(2-5-19(15)20)1-4-18(31)12-30;19-14-2-3-15-11(7-14)1-4-16(15)26-9-10-5-12(17(20,21)22)8-13(6-10)18(23,24)25;10-7-2-3-8-6(5-7)1-4-9(8)11/h6-7,9,11-15,23H,5,8,10,16H2,1-4H3;6-7,9-10,12-15,24H,5,8,11,16H2,1-4H3;4-5,7,9-13,21H,6,8,14H2,1-3H3,(H,34,35);5-6,8-11,19H,4,7,12H2,1-3H3;1-2,4-5,7-10,20,29-30H,3,6,11-12H2;2-3,5-8,16,26H,1,4,9H2;2-3,5,9H,1,4,11H2/b11-7+;9-6+;9-5+;;4-1+;;
InChIKeyFDWHDEPZAOMLIM-SZBHUXGPSA-N
XLogP44.76
TPSA286.21 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds29
Heavy Atoms215
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003260.55
LogP ≤ 544.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?
The IUPAC name of (E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate (CID 164978729) is (E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate.
What is the SMILES notation for (E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?
The canonical SMILES for (E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate is CC(C)(C)OC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCc2cc(/C=C/C(=O)O)ccc21.CC(C)(C)OC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCc2cc(Br)ccc21.CCC(=O)/C=C/c1ccc2c(c1)CCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C.CCOC(=O)/C=C/c1ccc2c(c1)CCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C.FC(F)(F)c1cc(CNC2CCc3cc(Br)ccc32)cc(C(F)(F)F)c1.NC1CCc2cc(Br)ccc21.O=C(/C=C/c1ccc2c(c1)CCC2NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CO.
What is the InChIKey of (E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?
The InChIKey is FDWHDEPZAOMLIM-SZBHUXGPSA-N. The full InChI is InChI=1S/C28H29F6NO4.C28H29F6NO3.C26H25F6NO4.C23H22BrF6NO2.C22H19F6NO2.C18H14BrF6N.C9H10BrN/c1-5-38-24(36)11-7-17-6-9-22-19(12-17)8-10-23(22)35(25(37)39-26(2,3)4)16-18-13-20(27(29,30)31)15-21(14-18)28(32,33)34;1-5-22(36)9-6-17-7-10-23-19(12-17)8-11-24(23)35(25(37)38-26(2,3)4)16-18-13-20(27(29,30)31)15-21(14-18)28(32,33)34;1-24(2,3)37-23(36)33(14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)21-8-6-17-10-15(4-7-20(17)21)5-9-22(34)35;1-21(2,3)33-20(32)31(19-7-4-14-10-17(24)5-6-18(14)19)12-13-8-15(22(25,26)27)11-16(9-13)23(28,29)30;23-21(24,25)16-8-14(9-17(10-16)22(26,27)28)11-29-20-6-3-15-7-13(2-5-19(15)20)1-4-18(31)12-30;19-14-2-3-15-11(7-14)1-4-16(15)26-9-10-5-12(17(20,21)22)8-13(6-10)18(23,24)25;10-7-2-3-8-6(5-7)1-4-9(8)11/h6-7,9,11-15,23H,5,8,10,16H2,1-4H3;6-7,9-10,12-15,24H,5,8,11,16H2,1-4H3;4-5,7,9-13,21H,6,8,14H2,1-3H3,(H,34,35);5-6,8-11,19H,4,7,12H2,1-3H3;1-2,4-5,7-10,20,29-30H,3,6,11-12H2;2-3,5-8,16,26H,1,4,9H2;2-3,5,9H,1,4,11H2/b11-7+;9-6+;9-5+;;4-1+;;.
What are the key properties of (E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?
(E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate has a molecular weight of 3260.55 g/mol, XLogP of 44.76, 29 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromo-2,3-dihydro-1H-inden-1-amine;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;tert-butyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate is sourced from PubChem (CID 164978729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).