1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C173H223B3Br6Cl3N13O27 — CID 163668468

About 1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 163668468) has the molecular formula C173H223B3Br6Cl3N13O27 and a molecular weight of 3534.97 g/mol. Its IUPAC name is 1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 163668468
• Molecular Formula: C173H223B3Br6Cl3N13O27
• Molecular Weight: 3534.97 g/mol
• Exact Mass: 3526.09
• IUPAC Name: 1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: BrCCOCCBr.CC(C)N1C(=O)C2(CCOCC2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC(C)N1C(=O)C2(CCOCC2)c2ccc(Br)cc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCN(c1cc(-c2ccc3c(c2)N(C(C)C)C(=O)C32CCOCC2)c(Cl)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc3c(c2)N(C(C)C)C(=O)C32CCOCC2)c(Cl)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(Br)c(Cl)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.O=C1Cc2cc(Br)ccc2C12CCOCC2.O=C1Cc2ccc(Br)cc2C1
• InChI: InChI=1S/2C38H47ClN4O5.C23H29BrClN3O3.C21H30BNO4.C15H18BrNO2.C13H13BrO2.C12H24B2O4.C9H7BrO.C4H8Br2O/c2*1-7-42(27-10-14-47-15-11-27)31-20-28(34(39)33(25(31)6)36(45)40-21-29-23(4)18-24(5)41-35(29)44)26-8-9-30-32(19-26)43(22(2)3)37(46)38(30)12-16-48-17-13-38;1-5-28(16-6-8-31-9-7-16)19-11-18(24)21(25)20(15(19)4)23(30)26-12-17-13(2)10-14(3)27-22(17)29;1-14(2)23-17-13-15(22-26-19(3,4)20(5,6)27-22)7-8-16(17)21(18(23)24)9-11-25-12-10-21;1-10(2)17-13-9-11(16)3-4-12(13)15(14(17)18)5-7-19-8-6-15;14-10-1-2-11-9(7-10)8-12(15)13(11)3-5-16-6-4-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-8-2-1-6-4-9(11)5-7(6)3-8;5-1-3-7-4-2-6/h2*8-9,18-20,22,27H,7,10-17,21H2,1-6H3,(H,40,45)(H,41,44);10-11,16H,5-9,12H2,1-4H3,(H,26,30)(H,27,29);7-8,13-14H,9-12H2,1-6H3;3-4,9-10H,5-8H2,1-2H3;1-2,7H,3-6,8H2;1-8H3;1-3H,4-5H2;1-4H2
• InChIKey: JAMLTRBRSOSCGF-UHFFFAOYSA-N
• XLogP: 32.19
• TPSA: 449.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3534.97
LogP ≤ 5	32.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 163668468) is 1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is BrCCOCCBr.CC(C)N1C(=O)C2(CCOCC2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC(C)N1C(=O)C2(CCOCC2)c2ccc(Br)cc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCN(c1cc(-c2ccc3c(c2)N(C(C)C)C(=O)C32CCOCC2)c(Cl)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(-c2ccc3c(c2)N(C(C)C)C(=O)C32CCOCC2)c(Cl)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.CCN(c1cc(Br)c(Cl)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.O=C1Cc2cc(Br)ccc2C12CCOCC2.O=C1Cc2ccc(Br)cc2C1.

What is the InChIKey of 1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is JAMLTRBRSOSCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H47ClN4O5.C23H29BrClN3O3.C21H30BNO4.C15H18BrNO2.C13H13BrO2.C12H24B2O4.C9H7BrO.C4H8Br2O/c2*1-7-42(27-10-14-47-15-11-27)31-20-28(34(39)33(25(31)6)36(45)40-21-29-23(4)18-24(5)41-35(29)44)26-8-9-30-32(19-26)43(22(2)3)37(46)38(30)12-16-48-17-13-38;1-5-28(16-6-8-31-9-7-16)19-11-18(24)21(25)20(15(19)4)23(30)26-12-17-13(2)10-14(3)27-22(17)29;1-14(2)23-17-13-15(22-26-19(3,4)20(5,6)27-22)7-8-16(17)21(18(23)24)9-11-25-12-10-21;1-10(2)17-13-9-11(16)3-4-12(13)15(14(17)18)5-7-19-8-6-15;14-10-1-2-11-9(7-10)8-12(15)13(11)3-5-16-6-4-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-8-2-1-6-4-9(11)5-7(6)3-8;5-1-3-7-4-2-6/h2*8-9,18-20,22,27H,7,10-17,21H2,1-6H3,(H,40,45)(H,41,44);10-11,16H,5-9,12H2,1-4H3,(H,26,30)(H,27,29);7-8,13-14H,9-12H2,1-6H3;3-4,9-10H,5-8H2,1-2H3;1-2,7H,3-6,8H2;1-8H3;1-3H,4-5H2;1-4H2.

What are the key properties of 1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3534.97 g/mol, XLogP of 32.19, 30 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-(2-bromoethoxy)ethane;3-bromo-2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylbenzamide;5-bromo-1,3-dihydroinden-2-one;6-bromo-1-propan-2-ylspiro[indole-3,4'-oxane]-2-one;6-bromospiro[1H-indene-3,4'-oxane]-2-one;bis(2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-3-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-6-yl)benzamide);1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-oxane]-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 163668468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).