2-(2-bromophenoxy)-N-propan-2-ylacetamide

C11H14BrNO2 — CID 729415

IUPAC2-(2-bromophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccccc1Br
InChIInChI=1S/C11H14BrNO2/c1-8(2)13-11(14)7-15-10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyTYNYCVIQDRRHMS-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.35
Rot. Bonds4

About 2-(2-bromophenoxy)-N-propan-2-ylacetamide

2-(2-bromophenoxy)-N-propan-2-ylacetamide (PubChem CID 729415) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-propan-2-ylacetamide
PubChem CID729415
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-(2-bromophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccccc1Br
InChIInChI=1S/C11H14BrNO2/c1-8(2)13-11(14)7-15-10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyTYNYCVIQDRRHMS-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-propan-2-ylacetamide (CID 729415) is 2-(2-bromophenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-propan-2-ylacetamide?
The InChIKey is TYNYCVIQDRRHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8(2)13-11(14)7-15-10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-bromophenoxy)-N-propan-2-ylacetamide?
2-(2-bromophenoxy)-N-propan-2-ylacetamide has a molecular weight of 272.14 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 729415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).