2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide

C13H15BrClNO2 — CID 885883

IUPAC2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NC1CCCC1
InChIInChI=1S/C13H15BrClNO2/c14-9-5-6-12(11(15)7-9)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)
InChIKeyQZEZVWNHDGAQEC-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide

2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide (PubChem CID 885883) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide
PubChem CID885883
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NC1CCCC1
InChIInChI=1S/C13H15BrClNO2/c14-9-5-6-12(11(15)7-9)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)
InChIKeyQZEZVWNHDGAQEC-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide (CID 885883) is 2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide is O=C(COc1ccc(Br)cc1Cl)NC1CCCC1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide?
The InChIKey is QZEZVWNHDGAQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-9-5-6-12(11(15)7-9)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide?
2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide has a molecular weight of 332.63 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-cyclopentylacetamide is sourced from PubChem (CID 885883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).