2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide

C11H14BrClN2O2 — CID 43379167

IUPAC2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1c(N)cc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN2O2/c1-2-3-15-10(16)6-17-11-8(12)4-7(13)5-9(11)14/h4-5H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyJCMFAULVNQLZNU-UHFFFAOYSA-N
MW321.60 g/mol
LogP2.59
Rot. Bonds5

About 2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide

2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide (PubChem CID 43379167) has the molecular formula C11H14BrClN2O2 and a molecular weight of 321.60 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide
PubChem CID43379167
Molecular FormulaC11H14BrClN2O2
Molecular Weight321.60 g/mol
Exact Mass319.99
IUPAC Name2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1c(N)cc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN2O2/c1-2-3-15-10(16)6-17-11-8(12)4-7(13)5-9(11)14/h4-5H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyJCMFAULVNQLZNU-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide 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-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide
CID 43379165
2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide
CID 43379208
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-butylacetamide
CID 107741383
N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 43509908
2-(2-amino-6-bromo-4-chlorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488077
2-(4-amino-2-bromophenoxy)-N-propylacetamide
CID 155894555
2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide
CID 114088084
3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide
CID 54879248
N-butyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742106
2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide
CID 116541403
2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163241
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide
CID 113438774

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide?
The IUPAC name of 2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide (CID 43379167) is 2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide?
The canonical SMILES for 2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide is CCCNC(=O)COc1c(N)cc(Cl)cc1Br.
What is the InChIKey of 2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide?
The InChIKey is JCMFAULVNQLZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2/c1-2-3-15-10(16)6-17-11-8(12)4-7(13)5-9(11)14/h4-5H,2-3,6,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide?
2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide has a molecular weight of 321.60 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 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-propylacetamide is sourced from PubChem (CID 43379167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).