2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide

C11H13BrClNO2 — CID 885552

IUPAC2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClNO2/c1-7(2)14-11(15)6-16-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyYAUKEPQAQQRJMK-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.01
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide

2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide (PubChem CID 885552) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide
PubChem CID885552
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C11H13BrClNO2/c1-7(2)14-11(15)6-16-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyYAUKEPQAQQRJMK-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.01
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-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide (CID 885552) is 2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide?
The InChIKey is YAUKEPQAQQRJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7(2)14-11(15)6-16-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide?
2-(4-bromo-2-chlorophenoxy)-N-propan-2-ylacetamide has a molecular weight of 306.59 g/mol, XLogP of 3.01, 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-propan-2-ylacetamide is sourced from PubChem (CID 885552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).