1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate

C43H63F2N7O8 — CID 145149949

About 1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate

1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate (PubChem CID 145149949) has the molecular formula C43H63F2N7O8 and a molecular weight of 844.01 g/mol. Its IUPAC name is 1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: 1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate
• PubChem CID: 145149949
• Molecular Formula: C43H63F2N7O8
• Molecular Weight: 844.01 g/mol
• Exact Mass: 843.47
• IUPAC Name: 1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate
• SMILES: CC1CC(C(=O)OCCC(=O)N2CCCC2C(=O)N2CCCCC2C(=O)NC(C)C)N(C=O)C1.CNCC(N)=O.Cc1cc(F)cc(F)c1.Cc1ccc(NC=O)cc1C
• InChI: InChI=1S/C24H38N4O6.C9H11NO.C7H6F2.C3H8N2O/c1-16(2)25-22(31)18-7-4-5-10-28(18)23(32)19-8-6-11-27(19)21(30)9-12-34-24(33)20-13-17(3)14-26(20)15-29;1-7-3-4-9(10-6-11)5-8(7)2;1-5-2-6(8)4-7(9)3-5;1-5-2-3(4)6/h15-20H,4-14H2,1-3H3,(H,25,31);3-6H,1-2H3,(H,10,11);2-4H,1H3;5H,2H2,1H3,(H2,4,6)
• InChIKey: TZJICPSMQGCAPJ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 200.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	844.01
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate?

The IUPAC name of 1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate (CID 145149949) is 1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate.

What is the SMILES notation for 1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate?

The canonical SMILES for 1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate is CC1CC(C(=O)OCCC(=O)N2CCCC2C(=O)N2CCCCC2C(=O)NC(C)C)N(C=O)C1.CNCC(N)=O.Cc1cc(F)cc(F)c1.Cc1ccc(NC=O)cc1C.

What is the InChIKey of 1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate?

The InChIKey is TZJICPSMQGCAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O6.C9H11NO.C7H6F2.C3H8N2O/c1-16(2)25-22(31)18-7-4-5-10-28(18)23(32)19-8-6-11-27(19)21(30)9-12-34-24(33)20-13-17(3)14-26(20)15-29;1-7-3-4-9(10-6-11)5-8(7)2;1-5-2-6(8)4-7(9)3-5;1-5-2-3(4)6/h15-20H,4-14H2,1-3H3,(H,25,31);3-6H,1-2H3,(H,10,11);2-4H,1H3;5H,2H2,1H3,(H2,4,6).

What are the key properties of 1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate?

1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate has a molecular weight of 844.01 g/mol, XLogP of 3.52, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-5-methylbenzene;N-(3,4-dimethylphenyl)formamide;2-(methylamino)acetamide;[3-oxo-3-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]propyl] 1-formyl-4-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 145149949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).