2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C15H19BrN2O3 — CID 2532948

IUPAC2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NCCCN1CCCC1=O
InChIInChI=1S/C15H19BrN2O3/c16-12-4-6-13(7-5-12)21-11-14(19)17-8-2-10-18-9-1-3-15(18)20/h4-7H,1-3,8-11H2,(H,17,19)
InChIKeyWDLIPQRARXYTBQ-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.96
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 2532948) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID2532948
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NCCCN1CCCC1=O
InChIInChI=1S/C15H19BrN2O3/c16-12-4-6-13(7-5-12)21-11-14(19)17-8-2-10-18-9-1-3-15(18)20/h4-7H,1-3,8-11H2,(H,17,19)
InChIKeyWDLIPQRARXYTBQ-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 2532948) is 2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(COc1ccc(Br)cc1)NCCCN1CCCC1=O.
What is the InChIKey of 2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is WDLIPQRARXYTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c16-12-4-6-13(7-5-12)21-11-14(19)17-8-2-10-18-9-1-3-15(18)20/h4-7H,1-3,8-11H2,(H,17,19).
What are the key properties of 2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 355.23 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 2532948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).