N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide

C13H10BrClN2O2 — CID 673988

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

About N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide

N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 673988) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide
PubChem CID673988
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H10BrClN2O2/c14-9-1-6-12(16-7-9)17-13(18)8-19-11-4-2-10(15)3-5-11/h1-7H,8H2,(H,16,17,18)
InChIKeyXSTHOCJPOPEHIN-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 N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide (CID 673988) is N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is XSTHOCJPOPEHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-9-1-6-12(16-7-9)17-13(18)8-19-11-4-2-10(15)3-5-11/h1-7H,8H2,(H,16,17,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide?
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)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 N-(5-bromo-2-pyridinyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 673988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).