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

C11H12BrN3O2 — CID 106236951

IUPAC2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide
SMILESN#Cc1c(Br)cccc1NCCOCC(N)=O
InChIInChI=1S/C11H12BrN3O2/c12-9-2-1-3-10(8(9)6-13)15-4-5-17-7-11(14)16/h1-3,15H,4-5,7H2,(H2,14,16)
InChIKeyPZVGPMSCHJYSNT-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.23
Rot. Bonds6

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

2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide (PubChem CID 106236951) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide
PubChem CID106236951
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide
SMILESN#Cc1c(Br)cccc1NCCOCC(N)=O
InChIInChI=1S/C11H12BrN3O2/c12-9-2-1-3-10(8(9)6-13)15-4-5-17-7-11(14)16/h1-3,15H,4-5,7H2,(H2,14,16)
InChIKeyPZVGPMSCHJYSNT-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-2-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

2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
CID 114880954
4-(3-bromo-2-cyanoanilino)butanamide
CID 114880659
2-[2-(2-cyano-3-ethylsulfanylanilino)ethoxy]acetamide
CID 106236970
2-(3-bromo-2-cyanoanilino)ethanesulfonamide
CID 114880630
2-bromo-6-(2-phenoxyethylamino)benzonitrile
CID 114880862
2-[2-(2-aminophenoxy)ethylamino]-6-bromobenzonitrile
CID 114887508
2-bromo-6-(2-methylsulfonylethylamino)benzonitrile
CID 114880667
2-[2-(2-sulfamoylanilino)ethoxy]acetamide
CID 114162595
2-bromo-6-(3-hydroxybutylamino)benzonitrile
CID 114881117
3-(3-bromo-2-cyanoanilino)-3-methylbutanamide
CID 114142914
ethyl 2-(3-bromo-2-cyanoanilino)acetate
CID 114880656
2-[2-(2-cyano-3-methylsulfanylanilino)ethoxy]acetic acid
CID 113385439

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide?
The IUPAC name of 2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide (CID 106236951) is 2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide is N#Cc1c(Br)cccc1NCCOCC(N)=O.
What is the InChIKey of 2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide?
The InChIKey is PZVGPMSCHJYSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c12-9-2-1-3-10(8(9)6-13)15-4-5-17-7-11(14)16/h1-3,15H,4-5,7H2,(H2,14,16).
What are the key properties of 2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide?
2-[2-(3-bromo-2-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-2-cyanoanilino)ethoxy]acetamide is sourced from PubChem (CID 106236951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).