5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide

C62H73Cl3F3N9O9 — CID 159784002

About 5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide

5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 159784002) has the molecular formula C62H73Cl3F3N9O9 and a molecular weight of 1251.67 g/mol. Its IUPAC name is 5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 159784002
• Molecular Formula: C62H73Cl3F3N9O9
• Molecular Weight: 1251.67 g/mol
• Exact Mass: 1249.45
• IUPAC Name: 5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: CCC(C)(C)NC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.Cc1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC(C)(C)C)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NCC(C)(C)C)n(C)c2C)ccc1F
• InChI: InChI=1S/2C21H25ClFN3O3.C20H23ClFN3O3/c1-11-9-13(7-8-14(11)23)25-19(28)15-12(2)26(6)17(16(15)22)18(27)20(29)24-10-21(3,4)5;1-7-21(4,5)25-20(29)18(27)17-16(22)15(12(3)26(17)6)19(28)24-13-8-9-14(23)11(2)10-13;1-10-9-12(7-8-13(10)22)23-18(27)14-11(2)25(6)16(15(14)21)17(26)19(28)24-20(3,4)5/h7-9H,10H2,1-6H3,(H,24,29)(H,25,28);8-10H,7H2,1-6H3,(H,24,28)(H,25,29);7-9H,1-6H3,(H,23,27)(H,24,28)
• InChIKey: NHSLQXUUMYKRQX-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 240.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1251.67
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide (CID 159784002) is 5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide is CCC(C)(C)NC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1C.Cc1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC(C)(C)C)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NCC(C)(C)C)n(C)c2C)ccc1F.

What is the InChIKey of 5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is NHSLQXUUMYKRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H25ClFN3O3.C20H23ClFN3O3/c1-11-9-13(7-8-14(11)23)25-19(28)15-12(2)26(6)17(16(15)22)18(27)20(29)24-10-21(3,4)5;1-7-21(4,5)25-20(29)18(27)17-16(22)15(12(3)26(17)6)19(28)24-13-8-9-14(23)11(2)10-13;1-10-9-12(7-8-13(10)22)23-18(27)14-11(2)25(6)16(15(14)21)17(26)19(28)24-20(3,4)5/h7-9H,10H2,1-6H3,(H,24,29)(H,25,28);8-10H,7H2,1-6H3,(H,24,28)(H,25,29);7-9H,1-6H3,(H,23,27)(H,24,28).

What are the key properties of 5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide?

5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 1251.67 g/mol, XLogP of 11.99, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(tert-butylamino)-2-oxoacetyl]-4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-5-[2-(2,2-dimethylpropylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2-dimethylpyrrole-3-carboxamide;4-chloro-N-(4-fluoro-3-methylphenyl)-1,2-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159784002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).