2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide

C13H18BrNO2 — CID 2949556

IUPAC2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1ccc(Br)c(C)c1
InChIInChI=1S/C13H18BrNO2/c1-4-10(3)15-13(16)8-17-11-5-6-12(14)9(2)7-11/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyAIFVEEAUKLXLCL-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.05
Rot. Bonds5

About 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide

2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide (PubChem CID 2949556) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
PubChem CID2949556
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1ccc(Br)c(C)c1
InChIInChI=1S/C13H18BrNO2/c1-4-10(3)15-13(16)8-17-11-5-6-12(14)9(2)7-11/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyAIFVEEAUKLXLCL-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99951022
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28636573
N-[(2S)-butan-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406901
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502708
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide
CID 166254452
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-ethylphenoxy)acetohydrazide
CID 3376998
2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133184316
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141421
2-[[2-(4-bromo-3-methylphenoxy)acetyl]-[(4-bromophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 133226645
N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4922762

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide (CID 2949556) is 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1ccc(Br)c(C)c1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide?
The InChIKey is AIFVEEAUKLXLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-4-10(3)15-13(16)8-17-11-5-6-12(14)9(2)7-11/h5-7,10H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide?
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide has a molecular weight of 300.20 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide is sourced from PubChem (CID 2949556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).