2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide

C11H11BrN2O2 — CID 68829328

IUPAC2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide
SMILESN#Cc1cccc(OCCNC(=O)CBr)c1
InChIInChI=1S/C11H11BrN2O2/c12-7-11(15)14-4-5-16-10-3-1-2-9(6-10)8-13/h1-3,6H,4-5,7H2,(H,14,15)
InChIKeyZAURQCLMOLVIFU-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.45
Rot. Bonds5

About 2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide

2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide (PubChem CID 68829328) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide
PubChem CID68829328
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide
SMILESN#Cc1cccc(OCCNC(=O)CBr)c1
InChIInChI=1S/C11H11BrN2O2/c12-7-11(15)14-4-5-16-10-3-1-2-9(6-10)8-13/h1-3,6H,4-5,7H2,(H,14,15)
InChIKeyZAURQCLMOLVIFU-UHFFFAOYSA-N
XLogP1.45
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide
CID 118436983
N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 176934412
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-cyanobenzoate
CID 18193603
1-[2-(3-bromophenoxy)ethyl]-3-(3-cyanophenyl)urea
CID 112971253
N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420847
3-(6-bromohexoxy)benzonitrile
CID 13450889
3-[2-(tert-butylamino)ethoxy]benzonitrile
CID 60981282
3-(5-oxohexoxy)benzonitrile
CID 62030651
1-(3-cyanophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971990
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide (CID 68829328) is 2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide is N#Cc1cccc(OCCNC(=O)CBr)c1.
What is the InChIKey of 2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide?
The InChIKey is ZAURQCLMOLVIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-7-11(15)14-4-5-16-10-3-1-2-9(6-10)8-13/h1-3,6H,4-5,7H2,(H,14,15).
What are the key properties of 2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide?
2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide has a molecular weight of 283.12 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide is sourced from PubChem (CID 68829328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).