2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide

C10H12BrClN2O2 — CID 43379208

IUPAC2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1c(N)cc(Cl)cc1Br
InChIInChI=1S/C10H12BrClN2O2/c1-14(2)9(15)5-16-10-7(11)3-6(12)4-8(10)13/h3-4H,5,13H2,1-2H3
InChIKeyOZLNKJGJJJHSJH-UHFFFAOYSA-N
MW307.58 g/mol
LogP2.15
Rot. Bonds3

About 2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide

2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide (PubChem CID 43379208) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide
PubChem CID43379208
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.58 g/mol
Exact Mass305.98
IUPAC Name2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1c(N)cc(Cl)cc1Br
InChIInChI=1S/C10H12BrClN2O2/c1-14(2)9(15)5-16-10-7(11)3-6(12)4-8(10)13/h3-4H,5,13H2,1-2H3
InChIKeyOZLNKJGJJJHSJH-UHFFFAOYSA-N
XLogP2.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide
CID 54879248
2-(2-amino-6-bromo-4-chlorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488077
2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide
CID 43379167
2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide
CID 43379165
2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide
CID 134970265
2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide
CID 43379393
2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096616
2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid
CID 64667093
2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CID 78765476
4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114478979
2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488078
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 60906449

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide (CID 43379208) is 2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide is CN(C)C(=O)COc1c(N)cc(Cl)cc1Br.
What is the InChIKey of 2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide?
The InChIKey is OZLNKJGJJJHSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2/c1-14(2)9(15)5-16-10-7(11)3-6(12)4-8(10)13/h3-4H,5,13H2,1-2H3.
What are the key properties of 2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide?
2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide has a molecular weight of 307.58 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 43379208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).