3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

C69H80Cl2F3N9O9 — CID 162199232

About 3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 162199232) has the molecular formula C69H80Cl2F3N9O9 and a molecular weight of 1307.35 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
• PubChem CID: 162199232
• Molecular Formula: C69H80Cl2F3N9O9
• Molecular Weight: 1307.35 g/mol
• Exact Mass: 1305.54
• IUPAC Name: 3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
• SMILES: CCC(C)(C)NC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2.CCC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)CC1.Cc1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC(C)(C)C)n3c2CCCC3)ccc1F
• InChI: InChI=1S/C24H28FN3O3.C23H27ClFN3O3.C22H25ClFN3O3/c1-4-24(10-11-24)27-23(31)21(29)20-15(3)19(18-7-5-6-12-28(18)20)22(30)26-16-8-9-17(25)14(2)13-16;1-5-23(3,4)27-22(31)20(29)19-18(24)17(16-8-6-7-11-28(16)19)21(30)26-14-9-10-15(25)13(2)12-14;1-12-11-13(8-9-14(12)24)25-20(29)16-15-7-5-6-10-27(15)18(17(16)23)19(28)21(30)26-22(2,3)4/h8-9,13H,4-7,10-12H2,1-3H3,(H,26,30)(H,27,31);9-10,12H,5-8,11H2,1-4H3,(H,26,30)(H,27,31);8-9,11H,5-7,10H2,1-4H3,(H,25,29)(H,26,30)
• InChIKey: ZRIXSYAEAUPIEW-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 240.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1307.35
LogP ≤ 5	13.01
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 3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The IUPAC name of 3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 162199232) is 3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide.

What is the SMILES notation for 3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The canonical SMILES for 3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide is CCC(C)(C)NC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2.CCC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)CC1.Cc1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC(C)(C)C)n3c2CCCC3)ccc1F.

What is the InChIKey of 3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The InChIKey is ZRIXSYAEAUPIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3.C23H27ClFN3O3.C22H25ClFN3O3/c1-4-24(10-11-24)27-23(31)21(29)20-15(3)19(18-7-5-6-12-28(18)20)22(30)26-16-8-9-17(25)14(2)13-16;1-5-23(3,4)27-22(31)20(29)19-18(24)17(16-8-6-7-11-28(16)19)21(30)26-14-9-10-15(25)13(2)12-14;1-12-11-13(8-9-14(12)24)25-20(29)16-15-7-5-6-10-27(15)18(17(16)23)19(28)21(30)26-22(2,3)4/h8-9,13H,4-7,10-12H2,1-3H3,(H,26,30)(H,27,31);9-10,12H,5-8,11H2,1-4H3,(H,26,30)(H,27,31);8-9,11H,5-7,10H2,1-4H3,(H,25,29)(H,26,30).

What are the key properties of 3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?

3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 1307.35 g/mol, XLogP of 13.01, 16 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 162199232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).