N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide

C124H132F2N36O22 — CID 157062124

About N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide

N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide (PubChem CID 157062124) has the molecular formula C124H132F2N36O22 and a molecular weight of 2516.65 g/mol. Its IUPAC name is N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide
• PubChem CID: 157062124
• Molecular Formula: C124H132F2N36O22
• Molecular Weight: 2516.65 g/mol
• Exact Mass: 2515.03
• IUPAC Name: N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide
• SMILES: CCc1ccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1.Cc1ccc(NC(=O)N(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1F.Cc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)cc2)n(C)c1=O
• InChI: InChI=1S/C21H19N5O3.C18H18F2N6O4.C18H21N5O3.3C17H19N5O3.C16H17N5O3/c1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)12-17(27)23-16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-9-5-6-10(13(20)12(9)19)22-17(29)23(2)11(27)7-26-8-21-15-14(26)16(28)25(4)18(30)24(15)3;1-5-12-6-8-13(9-7-12)20-16(24)11(2)23-10-19-15-14(23)17(25)22(4)18(26)21(15)3;2*1-10-5-7-12(8-6-10)19-15(23)11(2)22-9-18-14-13(22)16(24)21(4)17(25)20(14)3;1-10-5-6-12(11(2)7-10)19-13(23)8-22-9-18-15-14(22)16(24)21(4)17(25)20(15)3;1-10-5-4-6-11(7-10)18-12(22)8-21-9-17-14-13(21)15(23)20(3)16(24)19(14)2/h3-11,13H,12H2,1-2H3,(H,23,27);5-6,8H,7H2,1-4H3,(H,22,29);6-11H,5H2,1-4H3,(H,20,24);2*5-9,11H,1-4H3,(H,19,23);5-7,9H,8H2,1-4H3,(H,19,23);4-7,9H,8H2,1-3H3,(H,18,22)
• InChIKey: ABLJUHVQQZVJHZ-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 656.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 50
• Rotatable Bonds: 23
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2516.65
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide?

The IUPAC name of N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide (CID 157062124) is N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide.

What is the SMILES notation for N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide?

The canonical SMILES for N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide is CCc1ccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)C(C)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1.Cc1ccc(NC(=O)N(C)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1F.Cc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)cc2)n(C)c1=O.

What is the InChIKey of N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide?

The InChIKey is ABLJUHVQQZVJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3.C18H18F2N6O4.C18H21N5O3.3C17H19N5O3.C16H17N5O3/c1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)12-17(27)23-16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-9-5-6-10(13(20)12(9)19)22-17(29)23(2)11(27)7-26-8-21-15-14(26)16(28)25(4)18(30)24(15)3;1-5-12-6-8-13(9-7-12)20-16(24)11(2)23-10-19-15-14(23)17(25)22(4)18(26)21(15)3;2*1-10-5-7-12(8-6-10)19-15(23)11(2)22-9-18-14-13(22)16(24)21(4)17(25)20(14)3;1-10-5-6-12(11(2)7-10)19-13(23)8-22-9-18-15-14(22)16(24)21(4)17(25)20(15)3;1-10-5-4-6-11(7-10)18-12(22)8-21-9-17-14-13(21)15(23)20(3)16(24)19(14)2/h3-11,13H,12H2,1-2H3,(H,23,27);5-6,8H,7H2,1-4H3,(H,22,29);6-11H,5H2,1-4H3,(H,20,24);2*5-9,11H,1-4H3,(H,19,23);5-7,9H,8H2,1-4H3,(H,19,23);4-7,9H,8H2,1-3H3,(H,18,22).

What are the key properties of N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide?

N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide has a molecular weight of 2516.65 g/mol, XLogP of 6.60, 23 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,3-difluoro-4-methylphenyl)carbamoyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4-dimethylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)acetamide;bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide);2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 157062124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).