2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide

C11H15BrN2O2 — CID 47473943

IUPAC2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cccnc1Br
InChIInChI=1S/C11H15BrN2O2/c1-3-8(2)14-10(15)7-16-9-5-4-6-13-11(9)12/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyRQGBGIIKRDHQAD-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.14
Rot. Bonds5

About 2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide

2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide (PubChem CID 47473943) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide
PubChem CID47473943
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cccnc1Br
InChIInChI=1S/C11H15BrN2O2/c1-3-8(2)14-10(15)7-16-9-5-4-6-13-11(9)12/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyRQGBGIIKRDHQAD-UHFFFAOYSA-N
XLogP2.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide
CID 116524797
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
N-[(2S)-butan-2-yl]-2-(2-methylquinolin-8-yl)oxyacetamide
CID 7701891
N-butan-2-yl-2-[2-methyl-3-(2-methylbutanoyl)phenoxy]acetamide
CID 142517104
2-[2-(aminomethyl)-3-fluorophenoxy]-N-butan-2-ylacetamide
CID 43609214
N-(1-aminopropan-2-yl)-2-quinolin-8-yloxyacetamide
CID 110834168
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
N-butan-2-yl-2-(2-carbamothioyl-3-fluorophenoxy)acetamide
CID 43609385
N-butan-2-yl-2-quinolin-6-yloxyacetamide
CID 47453985
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-butan-2-ylacetamide
CID 43083056

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide?
The IUPAC name of 2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide (CID 47473943) is 2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1cccnc1Br.
What is the InChIKey of 2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide?
The InChIKey is RQGBGIIKRDHQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-3-8(2)14-10(15)7-16-9-5-4-6-13-11(9)12/h4-6,8H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide?
2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide has a molecular weight of 287.16 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide is sourced from PubChem (CID 47473943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).