2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide

C13H10BrClN2O2 — CID 875629

IUPAC2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H10BrClN2O2/c14-9-1-4-11(5-2-9)19-8-13(18)17-12-6-3-10(15)7-16-12/h1-7H,8H2,(H,16,17,18)
InChIKeyMUABCTNYJMWTEM-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.52
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide

2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 875629) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID875629
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H10BrClN2O2/c14-9-1-4-11(5-2-9)19-8-13(18)17-12-6-3-10(15)7-16-12/h1-7H,8H2,(H,16,17,18)
InChIKeyMUABCTNYJMWTEM-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide (CID 875629) is 2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is MUABCTNYJMWTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-9-1-4-11(5-2-9)19-8-13(18)17-12-6-3-10(15)7-16-12/h1-7H,8H2,(H,16,17,18).
What are the key properties of 2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)acetamide?
2-(4-bromophenoxy)-N-(5-chloro-2-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-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 875629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).