3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide

C145H142Br2N10O22S — CID 157354064

About 3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide

3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide (PubChem CID 157354064) has the molecular formula C145H142Br2N10O22S and a molecular weight of 2568.65 g/mol. Its IUPAC name is 3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide.

Molecular Properties

• Compound Name: 3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide
• PubChem CID: 157354064
• Molecular Formula: C145H142Br2N10O22S
• Molecular Weight: 2568.65 g/mol
• Exact Mass: 2564.84
• IUPAC Name: 3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide
• SMILES: C/C(=C\C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(=CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cc1.CCc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)o1.CCc1ncc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)[nH]1.Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)s1.O=C(/C=C/c1cnc2ccccc2c1)Nc1ccc2c(c1)OCCO2.O=C(C=C(c1ccc(Br)cc1)c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C31H35NO3.C23H17Br2NO3.C22H25NO3.C20H16N2O3.C17H17NO4.C16H17N3O3.C16H15NO3S/c1-30(2,3)23-11-7-21(8-12-23)26(22-9-13-24(14-10-22)31(4,5)6)20-29(33)32-25-15-16-27-28(19-25)35-18-17-34-27;24-17-5-1-15(2-6-17)20(16-3-7-18(25)8-4-16)14-23(27)26-19-9-10-21-22(13-19)29-12-11-28-21;1-15(16-5-7-17(8-6-16)22(2,3)4)13-21(24)23-18-9-10-19-20(14-18)26-12-11-25-19;23-20(22-16-6-7-18-19(12-16)25-10-9-24-18)8-5-14-11-15-3-1-2-4-17(15)21-13-14;1-2-13-4-5-14(22-13)6-8-17(19)18-12-3-7-15-16(11-12)21-10-9-20-15;1-2-15-17-10-12(18-15)4-6-16(20)19-11-3-5-13-14(9-11)22-8-7-21-13;1-11-2-4-13(21-11)5-7-16(18)17-12-3-6-14-15(10-12)20-9-8-19-14/h7-16,19-20H,17-18H2,1-6H3,(H,32,33);1-10,13-14H,11-12H2,(H,26,27);5-10,13-14H,11-12H2,1-4H3,(H,23,24);1-8,11-13H,9-10H2,(H,22,23);3-8,11H,2,9-10H2,1H3,(H,18,19);3-6,9-10H,2,7-8H2,1H3,(H,17,18)(H,19,20);2-7,10H,8-9H2,1H3,(H,17,18)/b;;15-13+;8-5+;8-6+;6-4+;7-5+
• InChIKey: BHWHSVDYQPBKBY-SGEIYTGYSA-N
• XLogP: 30.77
• TPSA: 387.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2568.65
LogP ≤ 5	30.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide?

The IUPAC name of 3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide (CID 157354064) is 3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide.

What is the SMILES notation for 3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide?

The canonical SMILES for 3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide is C/C(=C\C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(=CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cc1.CCc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)o1.CCc1ncc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)[nH]1.Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)s1.O=C(/C=C/c1cnc2ccccc2c1)Nc1ccc2c(c1)OCCO2.O=C(C=C(c1ccc(Br)cc1)c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of 3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide?

The InChIKey is BHWHSVDYQPBKBY-SGEIYTGYSA-N. The full InChI is InChI=1S/C31H35NO3.C23H17Br2NO3.C22H25NO3.C20H16N2O3.C17H17NO4.C16H17N3O3.C16H15NO3S/c1-30(2,3)23-11-7-21(8-12-23)26(22-9-13-24(14-10-22)31(4,5)6)20-29(33)32-25-15-16-27-28(19-25)35-18-17-34-27;24-17-5-1-15(2-6-17)20(16-3-7-18(25)8-4-16)14-23(27)26-19-9-10-21-22(13-19)29-12-11-28-21;1-15(16-5-7-17(8-6-16)22(2,3)4)13-21(24)23-18-9-10-19-20(14-18)26-12-11-25-19;23-20(22-16-6-7-18-19(12-16)25-10-9-24-18)8-5-14-11-15-3-1-2-4-17(15)21-13-14;1-2-13-4-5-14(22-13)6-8-17(19)18-12-3-7-15-16(11-12)21-10-9-20-15;1-2-15-17-10-12(18-15)4-6-16(20)19-11-3-5-13-14(9-11)22-8-7-21-13;1-11-2-4-13(21-11)5-7-16(18)17-12-3-6-14-15(10-12)20-9-8-19-14/h7-16,19-20H,17-18H2,1-6H3,(H,32,33);1-10,13-14H,11-12H2,(H,26,27);5-10,13-14H,11-12H2,1-4H3,(H,23,24);1-8,11-13H,9-10H2,(H,22,23);3-8,11H,2,9-10H2,1H3,(H,18,19);3-6,9-10H,2,7-8H2,1H3,(H,17,18)(H,19,20);2-7,10H,8-9H2,1H3,(H,17,18)/b;;15-13+;8-5+;8-6+;6-4+;7-5+.

What are the key properties of 3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide?

3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide has a molecular weight of 2568.65 g/mol, XLogP of 30.77, 25 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-bis(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;3,3-bis(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide is sourced from PubChem (CID 157354064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).