2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

C88H95BBrN9O11 — CID 158900149

IUPAC2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
SMILESBrc1ccc(-c2ccccc2)o1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)o4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C.O=C1Cc2cc(-c3ccc(-c4ccccc4)o3)ccc2N1
InChIInChI=1S/C32H34N4O3.C18H13NO2.C14H18BNO3.C14H23N3O2.C10H7BrO/c1-5-36(6-2)17-16-33-32(38)30-20(3)27(34-21(30)4)19-25-24-18-23(12-13-26(24)35-31(25)37)29-15-14-28(39-29)22-10-8-7-9-11-22;20-18-11-14-10-13(6-7-15(14)19-18)17-9-8-16(21-17)12-4-2-1-3-5-12;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4;11-10-7-6-9(12-10)8-4-2-1-3-5-8/h7-15,18-19,34H,5-6,16-17H2,1-4H3,(H,33,38)(H,35,37);1-10H,11H2,(H,19,20);5-7H,8H2,1-4H3,(H,16,17);9,16H,5-8H2,1-4H3,(H,15,19);1-7H/b25-19-;;;;
InChIKeyJFIHAFICGKDECT-BNLHYNQJSA-N
MW1545.50 g/mol
LogP16.94
Rot. Bonds20

About 2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one (PubChem CID 158900149) has the molecular formula C88H95BBrN9O11 and a molecular weight of 1545.50 g/mol. Its IUPAC name is 2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
PubChem CID158900149
Molecular FormulaC88H95BBrN9O11
Molecular Weight1545.50 g/mol
Exact Mass1543.64
IUPAC Name2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
SMILESBrc1ccc(-c2ccccc2)o1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)o4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C.O=C1Cc2cc(-c3ccc(-c4ccccc4)o3)ccc2N1
InChIInChI=1S/C32H34N4O3.C18H13NO2.C14H18BNO3.C14H23N3O2.C10H7BrO/c1-5-36(6-2)17-16-33-32(38)30-20(3)27(34-21(30)4)19-25-24-18-23(12-13-26(24)35-31(25)37)29-15-14-28(39-29)22-10-8-7-9-11-22;20-18-11-14-10-13(6-7-15(14)19-18)17-9-8-16(21-17)12-4-2-1-3-5-12;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4;11-10-7-6-9(12-10)8-4-2-1-3-5-8/h7-15,18-19,34H,5-6,16-17H2,1-4H3,(H,33,38)(H,35,37);1-10H,11H2,(H,19,20);5-7H,8H2,1-4H3,(H,16,17);9,16H,5-8H2,1-4H3,(H,15,19);1-7H/b25-19-;;;;
InChIKeyJFIHAFICGKDECT-BNLHYNQJSA-N
XLogP16.94
TPSA258.51 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001545.50
LogP ≤ 516.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one with MolForge

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Related Compounds

5-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(5-phenylfuran-2-yl)boronic acid
CID 157070410
2-bromo-5-phenyl-1,3,4-oxadiazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
CID 158335787
(2S)-N-[4-(5-bromo-1H-indol-2-yl)phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;furan-2-ylboronic acid;(2S)-N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 158364391
(2S)-N-[4-[3-bromo-5-[2-oxo-2-[2-[(2R)-2-phenylpropanoyl]pyrrolidin-1-yl]ethyl]-1H-indol-2-yl]phenyl]-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxamide;methane;(2S)-N-[4-[3-(4-methoxyphenyl)-5-[2-oxo-2-[2-[(2R)-2-phenylpropanoyl]pyrrolidin-1-yl]ethyl]-1H-indol-2-yl]phenyl]-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 158393393
4-(5-bromo-1H-indol-2-yl)aniline;(2S)-N-[4-(5-bromo-1H-indol-2-yl)phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-N-[4-[5-(furan-2-yl)-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid
CID 159460642
5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;2,4-dimethyl-5-[(Z)-[5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;5-formyl-2,4-dimethyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-1H-pyrrole-3-carboxamide;5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
CID 161607129
(2S)-N-[4-[3-bromo-5-[2-oxo-2-[2-[(2R)-2-phenylpropanoyl]pyrrolidin-1-yl]ethyl]-1H-indol-2-yl]phenyl]-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[3-(4-methoxyphenyl)-5-[2-oxo-2-[2-[(2R)-2-phenylpropanoyl]pyrrolidin-1-yl]ethyl]-1H-indol-2-yl]phenyl]-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 161840883
5-bromo-4-methyl-2-phenyl-1,3-oxazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;diethyl-[2-[(5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]-methylazanium;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1,3-dihydroindol-2-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
CID 162056495
(2S)-N-[4-[3-bromo-5-[2-oxo-2-[2-[(2R)-2-phenylpropanoyl]pyrrolidin-1-yl]ethyl]-1H-indol-2-yl]phenyl]-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxamide;methane;(2S)-N-[4-[3-(4-methoxyphenyl)-5-[2-oxo-2-[2-[(2R)-2-phenylpropanoyl]pyrrolidin-1-yl]ethyl]-1H-indol-2-yl]phenyl]-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 162243276

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one (CID 158900149) is 2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one is Brc1ccc(-c2ccccc2)o1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)o4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C.O=C1Cc2cc(-c3ccc(-c4ccccc4)o3)ccc2N1.
What is the InChIKey of 2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is JFIHAFICGKDECT-BNLHYNQJSA-N. The full InChI is InChI=1S/C32H34N4O3.C18H13NO2.C14H18BNO3.C14H23N3O2.C10H7BrO/c1-5-36(6-2)17-16-33-32(38)30-20(3)27(34-21(30)4)19-25-24-18-23(12-13-26(24)35-31(25)37)29-15-14-28(39-29)22-10-8-7-9-11-22;20-18-11-14-10-13(6-7-15(14)19-18)17-9-8-16(21-17)12-4-2-1-3-5-12;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4;11-10-7-6-9(12-10)8-4-2-1-3-5-8/h7-15,18-19,34H,5-6,16-17H2,1-4H3,(H,33,38)(H,35,37);1-10H,11H2,(H,19,20);5-7H,8H2,1-4H3,(H,16,17);9,16H,5-8H2,1-4H3,(H,15,19);1-7H/b25-19-;;;;.
What are the key properties of 2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?
2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 1545.50 g/mol, XLogP of 16.94, 20 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-phenylfuran;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylfuran-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-(5-phenylfuran-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 158900149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).