2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide

C16H21BrN2O3 — CID 52795237

IUPAC2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide
SMILESO=C(COc1ccc(Br)cc1)NCC(=O)NC1CCCCC1
InChIInChI=1S/C16H21BrN2O3/c17-12-6-8-14(9-7-12)22-11-16(21)18-10-15(20)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,21)(H,19,20)
InChIKeyBZPLYYVIPPHZAW-UHFFFAOYSA-N
MW369.26 g/mol
LogP2.39
Rot. Bonds6

About 2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide

2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide (PubChem CID 52795237) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide
PubChem CID52795237
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide
SMILESO=C(COc1ccc(Br)cc1)NCC(=O)NC1CCCCC1
InChIInChI=1S/C16H21BrN2O3/c17-12-6-8-14(9-7-12)22-11-16(21)18-10-15(20)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,21)(H,19,20)
InChIKeyBZPLYYVIPPHZAW-UHFFFAOYSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide 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-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide (CID 52795237) is 2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide is O=C(COc1ccc(Br)cc1)NCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide?
The InChIKey is BZPLYYVIPPHZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c17-12-6-8-14(9-7-12)22-11-16(21)18-10-15(20)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,21)(H,19,20).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide?
2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide has a molecular weight of 369.26 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexylacetamide is sourced from PubChem (CID 52795237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).