N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide

C12H13BrN2O2 — CID 63787703

IUPACN-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCC(Br)C2=O)cc1
InChIInChI=1S/C12H13BrN2O2/c1-8(16)14-9-2-4-10(5-3-9)15-7-6-11(13)12(15)17/h2-5,11H,6-7H2,1H3,(H,14,16)
InChIKeyCEWLFJPFDLNHMC-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.15
Rot. Bonds2

About N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide

N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 63787703) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID63787703
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCC(Br)C2=O)cc1
InChIInChI=1S/C12H13BrN2O2/c1-8(16)14-9-2-4-10(5-3-9)15-7-6-11(13)12(15)17/h2-5,11H,6-7H2,1H3,(H,14,16)
InChIKeyCEWLFJPFDLNHMC-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 63787703) is N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2CCC(Br)C2=O)cc1.
What is the InChIKey of N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is CEWLFJPFDLNHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-8(16)14-9-2-4-10(5-3-9)15-7-6-11(13)12(15)17/h2-5,11H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 297.15 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 63787703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).