2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide

C13H10BrClN2O2 — CID 54787948

IUPAC2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(Cl)nc1
InChIInChI=1S/C13H10BrClN2O2/c14-9-1-4-11(5-2-9)19-8-13(18)17-10-3-6-12(15)16-7-10/h1-7H,8H2,(H,17,18)
InChIKeyWIUXCODAASQFON-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.52
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide

2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide (PubChem CID 54787948) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
PubChem CID54787948
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(Cl)nc1
InChIInChI=1S/C13H10BrClN2O2/c14-9-1-4-11(5-2-9)19-8-13(18)17-10-3-6-12(15)16-7-10/h1-7H,8H2,(H,17,18)
InChIKeyWIUXCODAASQFON-UHFFFAOYSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.52
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

N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
2-(2-chlorophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787980
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413
2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834611
2-(4-bromophenoxy)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 55989555
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide (CID 54787948) is 2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)nc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide?
The InChIKey is WIUXCODAASQFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-9-1-4-11(5-2-9)19-8-13(18)17-10-3-6-12(15)16-7-10/h1-7H,8H2,(H,17,18).
What are the key properties of 2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide?
2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide has a molecular weight of 341.59 g/mol, XLogP of 3.52, 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-(6-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 54787948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).