3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide

C11H14BrClN2O2 — CID 54879248

IUPAC3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOc1c(N)cc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN2O2/c1-15(2)10(16)3-4-17-11-8(12)5-7(13)6-9(11)14/h5-6H,3-4,14H2,1-2H3
InChIKeyXAXPRCCYZJKOGI-UHFFFAOYSA-N
MW321.60 g/mol
LogP2.54
Rot. Bonds4

About 3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide

3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide (PubChem CID 54879248) has the molecular formula C11H14BrClN2O2 and a molecular weight of 321.60 g/mol. Its IUPAC name is 3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide
PubChem CID54879248
Molecular FormulaC11H14BrClN2O2
Molecular Weight321.60 g/mol
Exact Mass319.99
IUPAC Name3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOc1c(N)cc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN2O2/c1-15(2)10(16)3-4-17-11-8(12)5-7(13)6-9(11)14/h5-6H,3-4,14H2,1-2H3
InChIKeyXAXPRCCYZJKOGI-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 52.54
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

2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide
CID 43379208
2-(2-amino-6-bromo-4-chlorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488077
3-[2,6-dibromo-4-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 107743056
3-bromo-5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103177316
2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide
CID 43379167
2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide
CID 43379165
4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide
CID 55037346
3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 54879135
2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid
CID 64667093
4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114478979
3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 62326726
3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide
CID 47002615

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide (CID 54879248) is 3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide is CN(C)C(=O)CCOc1c(N)cc(Cl)cc1Br.
What is the InChIKey of 3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide?
The InChIKey is XAXPRCCYZJKOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2/c1-15(2)10(16)3-4-17-11-8(12)5-7(13)6-9(11)14/h5-6H,3-4,14H2,1-2H3.
What are the key properties of 3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide?
3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide has a molecular weight of 321.60 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 54879248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).