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

C98H107Cl3F6N16O15 — CID 157400630

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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 157400630) has the molecular formula C98H107Cl3F6N16O15 and a molecular weight of 1969.38 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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• PubChem CID: 157400630
• Molecular Formula: C98H107Cl3F6N16O15
• Molecular Weight: 1969.38 g/mol
• Exact Mass: 1966.71
• 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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• SMILES: CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n3c2CCC3C)CC(F)(F)C1.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.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)C)c3n2C(C)CC3)cc1Cl
• InChI: InChI=1S/C26H27F2N5O4.2C25H27ClF2N4O4.C22H26ClN3O3/c1-13-5-7-17(9-16(13)10-29)31-22(35)20-15(3)19(18-8-6-14(2)33(18)20)21(34)23(36)32-25(24(37)30-4)11-26(27,28)12-25;2*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(2)24-22(29)20(27)18-14(5)19(26-13(4)7-9-17(18)26)21(28)25-15-8-6-12(3)16(23)10-15/h5,7,9,14H,6,8,11-12H2,1-4H3,(H,30,37)(H,31,35)(H,32,36);2*5,7,9,13H,6,8,10-11H2,1-4H3,(H,29,36)(H,30,34)(H,31,35);6,8,10-11,13H,7,9H2,1-5H3,(H,24,29)(H,25,28)/t;13-;;/m.0../s1
• InChIKey: BNCPBTCAIXKDMA-FLUAPYNRSA-N
• XLogP: 14.64
• TPSA: 431.89 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1969.38
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	11
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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 157400630) 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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide is CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n3c2CCC3C)CC(F)(F)C1.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.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)C)c3n2C(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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The InChIKey is BNCPBTCAIXKDMA-FLUAPYNRSA-N. The full InChI is InChI=1S/C26H27F2N5O4.2C25H27ClF2N4O4.C22H26ClN3O3/c1-13-5-7-17(9-16(13)10-29)31-22(35)20-15(3)19(18-8-6-14(2)33(18)20)21(34)23(36)32-25(24(37)30-4)11-26(27,28)12-25;2*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(2)24-22(29)20(27)18-14(5)19(26-13(4)7-9-17(18)26)21(28)25-15-8-6-12(3)16(23)10-15/h5,7,9,14H,6,8,11-12H2,1-4H3,(H,30,37)(H,31,35)(H,32,36);2*5,7,9,13H,6,8,10-11H2,1-4H3,(H,29,36)(H,30,34)(H,31,35);6,8,10-11,13H,7,9H2,1-5H3,(H,24,29)(H,25,28)/t;13-;;/m.0../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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 1969.38 g/mol, XLogP of 14.64, 23 rotatable bonds, 11 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;(5S)-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;N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-cyano-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5-dimethyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 157400630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).