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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Related Compounds

methyl N-(3-fluoropyrrol-1-yl)carbamate
CID 177851270
N-pyrrol-1-ylformamide
CID 56980626
N-ureidopyrrole
CID 66968528
N-Nitrosopyrrolidine, HFBA-derivative
CID 91752924
2,2-difluoro-N-pyrrol-1-ylacetamide
CID 130778264
N-(3,3,3-trifluoropropyl)pyrrol-1-amine
CID 79101147
2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79101260
N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine
CID 79101346
N-(2,2-difluoroethyl)pyrrol-1-amine
CID 79101448
N-(2,2,2-trifluoroethyl)pyrrol-1-amine
CID 79101452
N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260501
2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide
CID 79811824

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).