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

C13H11BrN2O2 — CID 748737

IUPAC2-(4-bromophenoxy)-N-pyridin-4-ylacetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccncc1
InChIInChI=1S/C13H11BrN2O2/c14-10-1-3-12(4-2-10)18-9-13(17)16-11-5-7-15-8-6-11/h1-8H,9H2,(H,15,16,17)
InChIKeyRTLXCQJPRJXRMR-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.86
Rot. Bonds4

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

2-(4-bromophenoxy)-N-pyridin-4-ylacetamide (PubChem CID 748737) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-pyridin-4-ylacetamide
PubChem CID748737
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name2-(4-bromophenoxy)-N-pyridin-4-ylacetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccncc1
InChIInChI=1S/C13H11BrN2O2/c14-10-1-3-12(4-2-10)18-9-13(17)16-11-5-7-15-8-6-11/h1-8H,9H2,(H,15,16,17)
InChIKeyRTLXCQJPRJXRMR-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Pyridin-4-yl-2-p-tolyloxy-acetamide
CID 572152
2-[3-(3-methylbutoxy)phenoxy]-N-pyridin-4-ylacetamide
CID 2323706
2-(3-methylphenoxy)-N-(4-pyridinyl)acetamide
CID 814788
2-(4-nitrophenoxy)-N-4-pyridinylacetamide
CID 974849
2-(2-Methoxy-phenoxy)-N-pyridin-4-yl-acetamide
CID 748753
2-(2,6-dimethylphenoxy)-N-(4-pyridinyl)acetamide
CID 838189
2-(2-bromo-4-ethylphenoxy)-N-(pyridin-4-yl)acetamide
CID 894100
2-(2-bromo-4-chlorophenoxy)-N-4-pyridinylacetamide
CID 965265
N-Pyridin-4-yl-2-o-tolyloxy-acetamide
CID 1101312
2-(2-bromo-4-tert-butylphenoxy)-N-(pyridin-4-yl)acetamide
CID 2203155
2-(4-cyanophenoxy)-N-pyridin-4-ylacetamide
CID 2403408
2-(2,4-dibromophenoxy)-N-pyridin-3-ylpropanamide
CID 5077519

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-pyridin-4-ylacetamide (CID 748737) is 2-(4-bromophenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-pyridin-4-ylacetamide is O=C(COc1ccc(Br)cc1)Nc1ccncc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is RTLXCQJPRJXRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-10-1-3-12(4-2-10)18-9-13(17)16-11-5-7-15-8-6-11/h1-8H,9H2,(H,15,16,17).
What are the key properties of 2-(4-bromophenoxy)-N-pyridin-4-ylacetamide?
2-(4-bromophenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 307.15 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 748737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).