2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide

C13H16BrNO2 — CID 94168869

IUPAC2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)NCC1CCC1
InChIInChI=1S/C13H16BrNO2/c14-11-4-6-12(7-5-11)17-9-13(16)15-8-10-2-1-3-10/h4-7,10H,1-3,8-9H2,(H,15,16)
InChIKeyYDFBSXHWTFPXPS-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.74
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide

2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide (PubChem CID 94168869) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
PubChem CID94168869
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)NCC1CCC1
InChIInChI=1S/C13H16BrNO2/c14-11-4-6-12(7-5-11)17-9-13(16)15-8-10-2-1-3-10/h4-7,10H,1-3,8-9H2,(H,15,16)
InChIKeyYDFBSXHWTFPXPS-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide 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-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64913623
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide
CID 114147724
N-(cyclobutylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenoxy]acetamide
CID 71932136
2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087668
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 61138712
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
2-[[2-(4-bromophenoxy)acetyl]amino]acetamide
CID 9011663

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide (CID 94168869) is 2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide is O=C(COc1ccc(Br)cc1)NCC1CCC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide?
The InChIKey is YDFBSXHWTFPXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-11-4-6-12(7-5-11)17-9-13(16)15-8-10-2-1-3-10/h4-7,10H,1-3,8-9H2,(H,15,16).
What are the key properties of 2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide?
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide has a molecular weight of 298.18 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide is sourced from PubChem (CID 94168869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).