2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide

C11H12BrN3O2 — CID 114162215

IUPAC2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide
SMILESN#Cc1cc(Br)cc(NCCOCC(N)=O)c1
InChIInChI=1S/C11H12BrN3O2/c12-9-3-8(6-13)4-10(5-9)15-1-2-17-7-11(14)16/h3-5,15H,1-2,7H2,(H2,14,16)
InChIKeyDXOQUBAFTCHTLG-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.23
Rot. Bonds6

About 2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide

2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide (PubChem CID 114162215) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide
PubChem CID114162215
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide
SMILESN#Cc1cc(Br)cc(NCCOCC(N)=O)c1
InChIInChI=1S/C11H12BrN3O2/c12-9-3-8(6-13)4-10(5-9)15-1-2-17-7-11(14)16/h3-5,15H,1-2,7H2,(H2,14,16)
InChIKeyDXOQUBAFTCHTLG-UHFFFAOYSA-N
XLogP1.23
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(3-bromo-5-cyanoanilino)ethoxy]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

3-bromo-5-(2-methoxyethylamino)benzonitrile
CID 68773351
3-bromo-5-(3-butoxypropylamino)benzonitrile
CID 102817372
2-[2-[(6-chloro-4-cyano-2-pyridinyl)amino]ethoxy]acetamide
CID 106240014
3-(3-bromo-5-cyanoanilino)-2,2-dimethylpropanamide
CID 114167366
2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide
CID 106235036
methyl 2-(3-bromo-5-cyanoanilino)acetate
CID 102815053
2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide
CID 106236951
3-(3-bromo-5-cyanoanilino)propane-1-sulfonamide
CID 102816035
3-bromo-5-[(3-hydroxy-4-methoxybutyl)amino]benzonitrile
CID 114163749
2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide
CID 106236966
3-bromo-5-(but-3-enylamino)benzonitrile
CID 102817312
3-bromo-5-(2,2-difluoroethylamino)benzonitrile
CID 102817004

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide?
The IUPAC name of 2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide (CID 114162215) is 2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide is N#Cc1cc(Br)cc(NCCOCC(N)=O)c1.
What is the InChIKey of 2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide?
The InChIKey is DXOQUBAFTCHTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c12-9-3-8(6-13)4-10(5-9)15-1-2-17-7-11(14)16/h3-5,15H,1-2,7H2,(H2,14,16).
What are the key properties of 2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide?
2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide has a molecular weight of 298.14 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-5-cyanoanilino)ethoxy]acetamide is sourced from PubChem (CID 114162215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).