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

C21H22Br2N2O4 — CID 10165199

IUPAC2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N1CCC(C)(c2ccc(OCc3cc(Br)cc(Br)c3)cc2)C1=O
InChIInChI=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)
InChIKeyIVYXMVGUGSMOPZ-UHFFFAOYSA-N
MW526.23 g/mol
LogP4.17
Rot. Bonds6

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 Name2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
PubChem CID10165199
Molecular FormulaC21H22Br2N2O4
Molecular Weight526.23 g/mol
Exact Mass523.99
IUPAC Name2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N1CCC(C)(c2ccc(OCc3cc(Br)cc(Br)c3)cc2)C1=O
InChIInChI=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)
InChIKeyIVYXMVGUGSMOPZ-UHFFFAOYSA-N
XLogP4.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.23
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).