2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide

C21H22Br2N2O4 — CID 10165199

About 2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide

2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (PubChem CID 10165199) has the molecular formula C21H22Br2N2O4 and a molecular weight of 526.23 g/mol. Its IUPAC name is 2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.

Molecular Properties

• Compound Name: 2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
• PubChem CID: 10165199
• Molecular Formula: C21H22Br2N2O4
• Molecular Weight: 526.23 g/mol
• Exact Mass: 523.99
• IUPAC Name: 2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
• SMILES: CC(C(=O)NO)N1CCC(C)(c2ccc(OCc3cc(Br)cc(Br)c3)cc2)C1=O
• InChI: InChI=1S/C21H22Br2N2O4/c1-13(19(26)24-28)25-8-7-21(2,20(25)27)15-3-5-18(6-4-15)29-12-14-9-16(22)11-17(23)10-14/h3-6,9-11,13,28H,7-8,12H2,1-2H3,(H,24,26)
• InChIKey: IVYXMVGUGSMOPZ-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.23
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?

The IUPAC name of 2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (CID 10165199) is 2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.

What is the SMILES notation for 2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?

The canonical SMILES for 2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is CC(C(=O)NO)N1CCC(C)(c2ccc(OCc3cc(Br)cc(Br)c3)cc2)C1=O.

What is the InChIKey of 2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?

The InChIKey is IVYXMVGUGSMOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Br2N2O4/c1-13(19(26)24-28)25-8-7-21(2,20(25)27)15-3-5-18(6-4-15)29-12-14-9-16(22)11-17(23)10-14/h3-6,9-11,13,28H,7-8,12H2,1-2H3,(H,24,26).

What are the key properties of 2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?

2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide has a molecular weight of 526.23 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is sourced from PubChem (CID 10165199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).