2-(4-bromo-2-methylphenoxy)-N-propylacetamide

C12H16BrNO2 — CID 2296686

IUPAC2-(4-bromo-2-methylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C12H16BrNO2/c1-3-6-14-12(15)8-16-11-5-4-10(13)7-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyBTHGOLYZZAKMNR-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.66
Rot. Bonds5

About 2-(4-bromo-2-methylphenoxy)-N-propylacetamide

2-(4-bromo-2-methylphenoxy)-N-propylacetamide (PubChem CID 2296686) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-propylacetamide
PubChem CID2296686
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C12H16BrNO2/c1-3-6-14-12(15)8-16-11-5-4-10(13)7-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyBTHGOLYZZAKMNR-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-methylphenoxy)-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-propylacetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-propylacetamide (CID 2296686) is 2-(4-bromo-2-methylphenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-propylacetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-propylacetamide is CCCNC(=O)COc1ccc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-propylacetamide?
The InChIKey is BTHGOLYZZAKMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-6-14-12(15)8-16-11-5-4-10(13)7-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-propylacetamide?
2-(4-bromo-2-methylphenoxy)-N-propylacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-propylacetamide is sourced from PubChem (CID 2296686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).