2-(4-bromophenyl)-N-pyridin-2-ylacetamide

C13H11BrN2O — CID 670096

IUPAC2-(4-bromophenyl)-N-pyridin-2-ylacetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccccn1
InChIInChI=1S/C13H11BrN2O/c14-11-6-4-10(5-7-11)9-13(17)16-12-3-1-2-8-15-12/h1-8H,9H2,(H,15,16,17)
InChIKeyJCHAIRWDGKNROC-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.03
Rot. Bonds3

About 2-(4-bromophenyl)-N-pyridin-2-ylacetamide

2-(4-bromophenyl)-N-pyridin-2-ylacetamide (PubChem CID 670096) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-pyridin-2-ylacetamide
PubChem CID670096
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name2-(4-bromophenyl)-N-pyridin-2-ylacetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccccn1
InChIInChI=1S/C13H11BrN2O/c14-11-6-4-10(5-7-11)9-13(17)16-12-3-1-2-8-15-12/h1-8H,9H2,(H,15,16,17)
InChIKeyJCHAIRWDGKNROC-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 2-(4-bromophenyl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-pyridin-2-ylacetamide (CID 670096) is 2-(4-bromophenyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-pyridin-2-ylacetamide is O=C(Cc1ccc(Br)cc1)Nc1ccccn1.
What is the InChIKey of 2-(4-bromophenyl)-N-pyridin-2-ylacetamide?
The InChIKey is JCHAIRWDGKNROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-11-6-4-10(5-7-11)9-13(17)16-12-3-1-2-8-15-12/h1-8H,9H2,(H,15,16,17).
What are the key properties of 2-(4-bromophenyl)-N-pyridin-2-ylacetamide?
2-(4-bromophenyl)-N-pyridin-2-ylacetamide 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 2-(4-bromophenyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 670096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).