N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide

C97H107Cl4F6N15O16 — CID 158099788

About N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide

N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide (PubChem CID 158099788) has the molecular formula C97H107Cl4F6N15O16 and a molecular weight of 1994.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide
• PubChem CID: 158099788
• Molecular Formula: C97H107Cl4F6N15O16
• Molecular Weight: 1994.81 g/mol
• Exact Mass: 1991.67
• IUPAC Name: N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide
• SMILES: CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2CCC3C)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2CC[C@H]3C)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2C[C@@H](O)C3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)C)c3n2C(C)(C)CC3)cc1Cl
• InChI: InChI=1S/2C25H27ClF2N4O4.C24H25ClF2N4O5.C23H28ClN3O3/c2*1-12-5-7-15(9-16(12)26)30-21(34)19-14(3)18(17-8-6-13(2)32(17)19)20(33)22(35)31-24(23(36)29-4)10-25(27,28)11-24;1-11-4-5-13(6-15(11)25)29-20(34)18-12(2)17(16-7-14(32)8-31(16)18)19(33)21(35)30-23(22(36)28-3)9-24(26,27)10-23;1-12(2)25-22(30)20(28)18-14(4)19(27-17(18)9-10-23(27,5)6)21(29)26-15-8-7-13(3)16(24)11-15/h2*5,7,9,13H,6,8,10-11H2,1-4H3,(H,29,36)(H,30,34)(H,31,35);4-6,14,32H,7-10H2,1-3H3,(H,28,36)(H,29,34)(H,30,35);7-8,11-12H,9-10H2,1-6H3,(H,25,30)(H,26,29)/t13-;;14-;/m1.1./s1
• InChIKey: FPCPEEJEJANJAW-PXYOIBBVSA-N
• XLogP: 14.00
• TPSA: 428.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1994.81
LogP ≤ 5	14.00
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide?

The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide (CID 158099788) is N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide.

What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide?

The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide is CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2CCC3C)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2CC[C@H]3C)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2C[C@@H](O)C3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)C)c3n2C(C)(C)CC3)cc1Cl.

What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide?

The InChIKey is FPCPEEJEJANJAW-PXYOIBBVSA-N. The full InChI is InChI=1S/2C25H27ClF2N4O4.C24H25ClF2N4O5.C23H28ClN3O3/c2*1-12-5-7-15(9-16(12)26)30-21(34)19-14(3)18(17-8-6-13(2)32(17)19)20(33)22(35)31-24(23(36)29-4)10-25(27,28)11-24;1-11-4-5-13(6-15(11)25)29-20(34)18-12(2)17(16-7-14(32)8-31(16)18)19(33)21(35)30-23(22(36)28-3)9-24(26,27)10-23;1-12(2)25-22(30)20(28)18-14(4)19(27-17(18)9-10-23(27,5)6)21(29)26-15-8-7-13(3)16(24)11-15/h2*5,7,9,13H,6,8,10-11H2,1-4H3,(H,29,36)(H,30,34)(H,31,35);4-6,14,32H,7-10H2,1-3H3,(H,28,36)(H,29,34)(H,30,35);7-8,11-12H,9-10H2,1-6H3,(H,25,30)(H,26,29)/t13-;;14-;/m1.1./s1.

What are the key properties of N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide?

N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide has a molecular weight of 1994.81 g/mol, XLogP of 14.00, 23 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(5R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2,5,5-trimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydropyrrolizine-3-carboxamide is sourced from PubChem (CID 158099788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).