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

C13H11BrN2O — CID 783419

IUPACN-(5-bromo-2-pyridinyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H11BrN2O/c14-11-6-7-12(15-9-11)16-13(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16,17)
InChIKeyIBSWFOWAMUFWRU-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.03
Rot. Bonds3

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

N-(5-bromo-2-pyridinyl)-2-phenylacetamide (PubChem CID 783419) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-phenylacetamide
PubChem CID783419
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC NameN-(5-bromo-2-pyridinyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H11BrN2O/c14-11-6-7-12(15-9-11)16-13(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16,17)
InChIKeyIBSWFOWAMUFWRU-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-phenylacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-phenylacetamide (CID 783419) is N-(5-bromo-2-pyridinyl)-2-phenylacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-phenylacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-phenylacetamide?
The InChIKey is IBSWFOWAMUFWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-11-6-7-12(15-9-11)16-13(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-phenylacetamide?
N-(5-bromo-2-pyridinyl)-2-phenylacetamide has a molecular weight of 291.15 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-phenylacetamide is sourced from PubChem (CID 783419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).