disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane)

C191H186BBr5Cl11F2N16Na2O19P5Pd — CID 165082316

About disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane)

disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane) (PubChem CID 165082316) has the molecular formula C191H186BBr5Cl11F2N16Na2O19P5Pd and a molecular weight of 4155.26 g/mol. Its IUPAC name is disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane)
• PubChem CID: 165082316
• Molecular Formula: C191H186BBr5Cl11F2N16Na2O19P5Pd
• Molecular Weight: 4155.26 g/mol
• Exact Mass: 4142.42
• IUPAC Name: disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane)
• SMILES: CC(C)(C)OC(=O)N1CC2(CCNCC2)C1.CC(C)c1ccccc1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Br)cc21.CC(C)c1ccccc1-n1c(=O)nc(Cl)c2cc(Cl)c(Br)cc21.CC(C)c1ccccc1-n1c(=O)nc(N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)c2cc(Cl)c(Br)cc21.CC(C)c1ccccc1N.CC(C)c1ccccc1NC(=O)NC(=O)c1cc(Cl)c(Br)cc1F.Cc1ccc2[nH]ncc2c1B(O)O.NC(=O)c1cc(Cl)c(Br)cc1F.O=C(Cl)C(=O)Cl.O=CO[O-].O=P(Cl)(Cl)Cl.[H-].[Na+].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C29H34BrClN4O3.4C18H15P.C17H13BrCl2N2O.C17H15BrClFN2O2.C17H14BrClN2O2.C12H22N2O2.C9H13N.C8H9BN2O2.C7H4BrClFNO.C2Cl2O2.CH2O3.Cl3OP.2Na.Pd.H/c1-18(2)19-8-6-7-9-23(19)35-24-15-21(30)22(31)14-20(24)25(32-26(35)36)33-12-10-29(11-13-33)16-34(17-29)27(37)38-28(3,4)5;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10-5-3-4-6-14(10)22-15-8-12(18)13(19)7-11(15)16(20)21-17(22)23;1-9(2)10-5-3-4-6-15(10)21-17(24)22-16(23)11-7-13(19)12(18)8-14(11)20;1-9(2)10-5-3-4-6-14(10)21-15-8-12(18)13(19)7-11(15)16(22)20-17(21)23;1-11(2,3)16-10(15)14-8-12(9-14)4-6-13-7-5-12;1-7(2)8-5-3-4-6-9(8)10;1-5-2-3-7-6(4-10-11-7)8(5)9(12)13;8-4-2-6(10)3(7(11)12)1-5(4)9;3-1(5)2(4)6;2-1-4-3;1-5(2,3)4;;;;/h6-9,14-15,18H,10-13,16-17H2,1-5H3;4*1-15H;3-9H,1-2H3;3-9H,1-2H3,(H2,21,22,23,24);3-9H,1-2H3,(H,20,22,23);13H,4-9H2,1-3H3;3-7H,10H2,1-2H3;2-4,12-13H,1H3,(H,10,11);1-2H,(H2,11,12);;1,3H;;;;;/q;;;;;;;;;;;;;;;2*+1;;-1/p-1
• InChIKey: AIEHLJZLLYNYME-UHFFFAOYSA-M
• XLogP: 37.44
• TPSA: 496.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4155.26
LogP ≤ 5	37.44
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane)?

The IUPAC name of disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane) (CID 165082316) is disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane).

What is the SMILES notation for disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane)?

The canonical SMILES for disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane) is CC(C)(C)OC(=O)N1CC2(CCNCC2)C1.CC(C)c1ccccc1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Br)cc21.CC(C)c1ccccc1-n1c(=O)nc(Cl)c2cc(Cl)c(Br)cc21.CC(C)c1ccccc1-n1c(=O)nc(N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)c2cc(Cl)c(Br)cc21.CC(C)c1ccccc1N.CC(C)c1ccccc1NC(=O)NC(=O)c1cc(Cl)c(Br)cc1F.Cc1ccc2[nH]ncc2c1B(O)O.NC(=O)c1cc(Cl)c(Br)cc1F.O=C(Cl)C(=O)Cl.O=CO[O-].O=P(Cl)(Cl)Cl.[H-].[Na+].[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane)?

The InChIKey is AIEHLJZLLYNYME-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H34BrClN4O3.4C18H15P.C17H13BrCl2N2O.C17H15BrClFN2O2.C17H14BrClN2O2.C12H22N2O2.C9H13N.C8H9BN2O2.C7H4BrClFNO.C2Cl2O2.CH2O3.Cl3OP.2Na.Pd.H/c1-18(2)19-8-6-7-9-23(19)35-24-15-21(30)22(31)14-20(24)25(32-26(35)36)33-12-10-29(11-13-33)16-34(17-29)27(37)38-28(3,4)5;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10-5-3-4-6-14(10)22-15-8-12(18)13(19)7-11(15)16(20)21-17(22)23;1-9(2)10-5-3-4-6-15(10)21-17(24)22-16(23)11-7-13(19)12(18)8-14(11)20;1-9(2)10-5-3-4-6-14(10)21-15-8-12(18)13(19)7-11(15)16(22)20-17(21)23;1-11(2,3)16-10(15)14-8-12(9-14)4-6-13-7-5-12;1-7(2)8-5-3-4-6-9(8)10;1-5-2-3-7-6(4-10-11-7)8(5)9(12)13;8-4-2-6(10)3(7(11)12)1-5(4)9;3-1(5)2(4)6;2-1-4-3;1-5(2,3)4;;;;/h6-9,14-15,18H,10-13,16-17H2,1-5H3;4*1-15H;3-9H,1-2H3;3-9H,1-2H3,(H2,21,22,23,24);3-9H,1-2H3,(H,20,22,23);13H,4-9H2,1-3H3;3-7H,10H2,1-2H3;2-4,12-13H,1H3,(H,10,11);1-2H,(H2,11,12);;1,3H;;;;;/q;;;;;;;;;;;;;;;2*+1;;-1/p-1.

What are the key properties of disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane)?

disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane) has a molecular weight of 4155.26 g/mol, XLogP of 37.44, 27 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;4-bromo-5-chloro-2-fluorobenzamide;4-bromo-5-chloro-2-fluoro-N-[(2-propan-2-ylphenyl)carbamoyl]benzamide;7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazoline-2,4-dione;7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one;tert-butyl 7-[7-bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydride;(5-methyl-1H-indazol-4-yl)boronic acid;oxalyl dichloride;oxido formate;palladium;phosphoryl trichloride;2-propan-2-ylaniline;tetrakis(triphenylphosphane) is sourced from PubChem (CID 165082316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).