2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide

C97H108Cl7N11O16 — CID 161174453

About 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide

2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide (PubChem CID 161174453) has the molecular formula C97H108Cl7N11O16 and a molecular weight of 1932.16 g/mol. Its IUPAC name is 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
• PubChem CID: 161174453
• Molecular Formula: C97H108Cl7N11O16
• Molecular Weight: 1932.16 g/mol
• Exact Mass: 1927.58
• IUPAC Name: 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
• SMILES: CCC(Oc1ccc(C)cc1C)C(=O)Nc1cccc(C(=O)NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c1.CCCCOC(=O)C(C)CC(C)(CC)C(=O)NC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1.CCOC1C(=O)N(C(C(=O)Nc2cc(C)ccc2Cl)C(=O)C(C)(C)C)C(=O)N1Cc1ccccc1.Cc1ccc(OC(C(=O)Nc2cc(C)ccc2Cl)C(=O)C(C)(C)C)cc1
• InChI: InChI=1S/C28H25Cl3N4O4.C26H30ClN3O5.C22H29Cl2N3O4.C21H24ClNO3/c1-4-22(39-23-9-8-15(2)10-16(23)3)28(38)32-19-7-5-6-17(11-19)27(37)33-24-14-25(36)35(34-24)26-20(30)12-18(29)13-21(26)31;1-6-35-24-23(33)30(25(34)29(24)15-17-10-8-7-9-11-17)20(21(31)26(3,4)5)22(32)28-19-14-16(2)12-13-18(19)27;1-5-7-10-31-20(29)14(3)13-22(4,6-2)21(30)25-18-12-19(28)27(26-18)17-11-15(23)8-9-16(17)24;1-13-6-9-15(10-7-13)26-18(19(24)21(3,4)5)20(25)23-17-12-14(2)8-11-16(17)22/h5-13,22H,4,14H2,1-3H3,(H,32,38)(H,33,34,37);7-14,20,24H,6,15H2,1-5H3,(H,28,32);8-9,11,14H,5-7,10,12-13H2,1-4H3,(H,25,26,30);6-12,18H,1-5H3,(H,23,25)
• InChIKey: URPQXEQKBQYWDT-UHFFFAOYSA-N
• XLogP: 20.84
• TPSA: 339.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 29
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1932.16
LogP ≤ 5	20.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?

The IUPAC name of 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide (CID 161174453) is 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide.

What is the SMILES notation for 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?

The canonical SMILES for 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide is CCC(Oc1ccc(C)cc1C)C(=O)Nc1cccc(C(=O)NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c1.CCCCOC(=O)C(C)CC(C)(CC)C(=O)NC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1.CCOC1C(=O)N(C(C(=O)Nc2cc(C)ccc2Cl)C(=O)C(C)(C)C)C(=O)N1Cc1ccccc1.Cc1ccc(OC(C(=O)Nc2cc(C)ccc2Cl)C(=O)C(C)(C)C)cc1.

What is the InChIKey of 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?

The InChIKey is URPQXEQKBQYWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl3N4O4.C26H30ClN3O5.C22H29Cl2N3O4.C21H24ClNO3/c1-4-22(39-23-9-8-15(2)10-16(23)3)28(38)32-19-7-5-6-17(11-19)27(37)33-24-14-25(36)35(34-24)26-20(30)12-18(29)13-21(26)31;1-6-35-24-23(33)30(25(34)29(24)15-17-10-8-7-9-11-17)20(21(31)26(3,4)5)22(32)28-19-14-16(2)12-13-18(19)27;1-5-7-10-31-20(29)14(3)13-22(4,6-2)21(30)25-18-12-19(28)27(26-18)17-11-15(23)8-9-16(17)24;1-13-6-9-15(10-7-13)26-18(19(24)21(3,4)5)20(25)23-17-12-14(2)8-11-16(17)22/h5-13,22H,4,14H2,1-3H3,(H,32,38)(H,33,34,37);7-14,20,24H,6,15H2,1-5H3,(H,28,32);8-9,11,14H,5-7,10,12-13H2,1-4H3,(H,25,26,30);6-12,18H,1-5H3,(H,23,25).

What are the key properties of 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?

2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide has a molecular weight of 1932.16 g/mol, XLogP of 20.84, 29 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 161174453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).