2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide

C6H5BrF2N2O — CID 130678632

IUPAC2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide
SMILESO=C(Nn1cccc1)C(F)(F)Br
InChIInChI=1S/C6H5BrF2N2O/c7-6(8,9)5(12)10-11-3-1-2-4-11/h1-4H,(H,10,12)
InChIKeyIPWQMRNHHGYRNE-UHFFFAOYSA-N
MW239.02 g/mol
LogP1.55
Rot. Bonds2

About 2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide

2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide (PubChem CID 130678632) has the molecular formula C6H5BrF2N2O and a molecular weight of 239.02 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide
PubChem CID130678632
Molecular FormulaC6H5BrF2N2O
Molecular Weight239.02 g/mol
Exact Mass237.96
IUPAC Name2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide
SMILESO=C(Nn1cccc1)C(F)(F)Br
InChIInChI=1S/C6H5BrF2N2O/c7-6(8,9)5(12)10-11-3-1-2-4-11/h1-4H,(H,10,12)
InChIKeyIPWQMRNHHGYRNE-UHFFFAOYSA-N
XLogP1.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.02
LogP ≤ 51.55
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 2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide?
The IUPAC name of 2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide (CID 130678632) is 2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide.
What is the SMILES notation for 2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide?
The canonical SMILES for 2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide is O=C(Nn1cccc1)C(F)(F)Br.
What is the InChIKey of 2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide?
The InChIKey is IPWQMRNHHGYRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O/c7-6(8,9)5(12)10-11-3-1-2-4-11/h1-4H,(H,10,12).
What are the key properties of 2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide?
2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide has a molecular weight of 239.02 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide is sourced from PubChem (CID 130678632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).