2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide

C9H6BrClN2O2 — CID 79194704

IUPAC2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide
SMILESN#CNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C9H6BrClN2O2/c10-6-1-2-8(7(11)3-6)15-4-9(14)13-5-12/h1-3H,4H2,(H,13,14)
InChIKeyMFFLRFIBDGMUDK-UHFFFAOYSA-N
MW289.52 g/mol
LogP2.08
Rot. Bonds3

About 2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide

2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide (PubChem CID 79194704) has the molecular formula C9H6BrClN2O2 and a molecular weight of 289.52 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide
PubChem CID79194704
Molecular FormulaC9H6BrClN2O2
Molecular Weight289.52 g/mol
Exact Mass287.93
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide
SMILESN#CNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C9H6BrClN2O2/c10-6-1-2-8(7(11)3-6)15-4-9(14)13-5-12/h1-3H,4H2,(H,13,14)
InChIKeyMFFLRFIBDGMUDK-UHFFFAOYSA-N
XLogP2.08
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
2-(2-bromo-4-fluorophenoxy)-N-cyanoacetamide
CID 79194674
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid
CID 4632414
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
(2S)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833666
2-(4-bromo-2-chlorophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 2230439
2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119434089
2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide (CID 79194704) is 2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide is N#CNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide?
The InChIKey is MFFLRFIBDGMUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2/c10-6-1-2-8(7(11)3-6)15-4-9(14)13-5-12/h1-3H,4H2,(H,13,14).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide?
2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide has a molecular weight of 289.52 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide is sourced from PubChem (CID 79194704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).