4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide

C24H27ClN4O5 — CID 68891468

About 4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide

4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 68891468) has the molecular formula C24H27ClN4O5 and a molecular weight of 486.96 g/mol. Its IUPAC name is 4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
• PubChem CID: 68891468
• Molecular Formula: C24H27ClN4O5
• Molecular Weight: 486.96 g/mol
• Exact Mass: 486.17
• IUPAC Name: 4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
• SMILES: CC(C)CC(NC(=O)c1ccc(N)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccc(Cl)o1
• InChI: InChI=1S/C24H27ClN4O5/c1-13(2)11-16(27-22(31)14-3-5-15(26)6-4-14)23(32)28-10-9-17-21(28)18(30)12-29(17)24(33)19-7-8-20(25)34-19/h3-8,13,16-17,21H,9-12,26H2,1-2H3,(H,27,31)
• InChIKey: YGYZESGHSRLNQA-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 125.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.96
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide?

The IUPAC name of 4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (CID 68891468) is 4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide.

What is the SMILES notation for 4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide?

The canonical SMILES for 4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(N)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccc(Cl)o1.

What is the InChIKey of 4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide?

The InChIKey is YGYZESGHSRLNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O5/c1-13(2)11-16(27-22(31)14-3-5-15(26)6-4-14)23(32)28-10-9-17-21(28)18(30)12-29(17)24(33)19-7-8-20(25)34-19/h3-8,13,16-17,21H,9-12,26H2,1-2H3,(H,27,31).

What are the key properties of 4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide?

4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 486.96 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[1-[4-(5-chlorofuran-2-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 68891468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).