1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane

C50H54ClF6N7O8 — CID 159074442

About 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane

1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane (PubChem CID 159074442) has the molecular formula C50H54ClF6N7O8 and a molecular weight of 1030.46 g/mol. Its IUPAC name is 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane.

Molecular Properties

• Compound Name: 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane
• PubChem CID: 159074442
• Molecular Formula: C50H54ClF6N7O8
• Molecular Weight: 1030.46 g/mol
• Exact Mass: 1029.36
• IUPAC Name: 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane
• SMILES: C.CCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)F)c3)n3c2CCC3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(N)=O)CC(F)(F)C3)c3n2CCC3)cc1Cl
• InChI: InChI=1S/C26H27F4N3O4.C23H23ClF2N4O4.CH4/c1-4-18(34)25(11-26(29,30)12-25)32-24(37)21(35)19-14(3)20(33-9-5-6-17(19)33)23(36)31-15-8-7-13(2)16(10-15)22(27)28;1-11-5-6-13(8-14(11)24)28-19(32)17-12(2)16(15-4-3-7-30(15)17)18(31)20(33)29-22(21(27)34)9-23(25,26)10-22;/h7-8,10,22H,4-6,9,11-12H2,1-3H3,(H,31,36)(H,32,37);5-6,8H,3-4,7,9-10H2,1-2H3,(H2,27,34)(H,28,32)(H,29,33);1H4
• InChIKey: KABNQAMESCJHQU-UHFFFAOYSA-N
• XLogP: 8.23
• TPSA: 220.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.46
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane?

The IUPAC name of 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane (CID 159074442) is 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane.

What is the SMILES notation for 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane?

The canonical SMILES for 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane is C.CCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)F)c3)n3c2CCC3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(N)=O)CC(F)(F)C3)c3n2CCC3)cc1Cl.

What is the InChIKey of 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane?

The InChIKey is KABNQAMESCJHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F4N3O4.C23H23ClF2N4O4.CH4/c1-4-18(34)25(11-26(29,30)12-25)32-24(37)21(35)19-14(3)20(33-9-5-6-17(19)33)23(36)31-15-8-7-13(2)16(10-15)22(27)28;1-11-5-6-13(8-14(11)24)28-19(32)17-12(2)16(15-4-3-7-30(15)17)18(31)20(33)29-22(21(27)34)9-23(25,26)10-22;/h7-8,10,22H,4-6,9,11-12H2,1-3H3,(H,31,36)(H,32,37);5-6,8H,3-4,7,9-10H2,1-2H3,(H2,27,34)(H,28,32)(H,29,33);1H4.

What are the key properties of 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane?

1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane has a molecular weight of 1030.46 g/mol, XLogP of 8.23, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane is sourced from PubChem (CID 159074442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).