2-(5-bromo-2-pyridinyl)-2-phenylacetamide

C13H11BrN2O — CID 66848486

IUPAC2-(5-bromo-2-pyridinyl)-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C13H11BrN2O/c14-10-6-7-11(16-8-10)12(13(15)17)9-4-2-1-3-5-9/h1-8,12H,(H2,15,17)
InChIKeyABEXBQIXSJOTGO-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.46
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-2-phenylacetamide

2-(5-bromo-2-pyridinyl)-2-phenylacetamide (PubChem CID 66848486) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-2-phenylacetamide
PubChem CID66848486
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name2-(5-bromo-2-pyridinyl)-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C13H11BrN2O/c14-10-6-7-11(16-8-10)12(13(15)17)9-4-2-1-3-5-9/h1-8,12H,(H2,15,17)
InChIKeyABEXBQIXSJOTGO-UHFFFAOYSA-N
XLogP2.46
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-2-phenylacetamide?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-2-phenylacetamide (CID 66848486) is 2-(5-bromo-2-pyridinyl)-2-phenylacetamide.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-2-phenylacetamide?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-2-phenylacetamide is NC(=O)C(c1ccccc1)c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-2-phenylacetamide?
The InChIKey is ABEXBQIXSJOTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-10-6-7-11(16-8-10)12(13(15)17)9-4-2-1-3-5-9/h1-8,12H,(H2,15,17).
What are the key properties of 2-(5-bromo-2-pyridinyl)-2-phenylacetamide?
2-(5-bromo-2-pyridinyl)-2-phenylacetamide has a molecular weight of 291.15 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-2-phenylacetamide is sourced from PubChem (CID 66848486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).