2-(4-amino-2-bromophenoxy)-N-propylacetamide

C11H15BrN2O2 — CID 155894555

IUPAC2-(4-amino-2-bromophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(N)cc1Br
InChIInChI=1S/C11H15BrN2O2/c1-2-5-14-11(15)7-16-10-4-3-8(13)6-9(10)12/h3-4,6H,2,5,7,13H2,1H3,(H,14,15)
InChIKeyDIGFXOCGYHEJEE-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.94
Rot. Bonds5

About 2-(4-amino-2-bromophenoxy)-N-propylacetamide

2-(4-amino-2-bromophenoxy)-N-propylacetamide (PubChem CID 155894555) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(4-amino-2-bromophenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-bromophenoxy)-N-propylacetamide
PubChem CID155894555
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-(4-amino-2-bromophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(N)cc1Br
InChIInChI=1S/C11H15BrN2O2/c1-2-5-14-11(15)7-16-10-4-3-8(13)6-9(10)12/h3-4,6H,2,5,7,13H2,1H3,(H,14,15)
InChIKeyDIGFXOCGYHEJEE-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-formylphenoxy)-N-propylacetamide
CID 55025685
2-(4-amino-2-cyanophenoxy)-N-propylacetamide
CID 61268284
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-propylacetamide
CID 63063547
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
CID 80601766
2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide
CID 114088084
2-(4-acetyl-2-aminophenoxy)-N-propylacetamide
CID 82064189
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61321954
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
CID 19201978
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromophenoxy)-N-propylacetamide?
The IUPAC name of 2-(4-amino-2-bromophenoxy)-N-propylacetamide (CID 155894555) is 2-(4-amino-2-bromophenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(4-amino-2-bromophenoxy)-N-propylacetamide?
The canonical SMILES for 2-(4-amino-2-bromophenoxy)-N-propylacetamide is CCCNC(=O)COc1ccc(N)cc1Br.
What is the InChIKey of 2-(4-amino-2-bromophenoxy)-N-propylacetamide?
The InChIKey is DIGFXOCGYHEJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-5-14-11(15)7-16-10-4-3-8(13)6-9(10)12/h3-4,6H,2,5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(4-amino-2-bromophenoxy)-N-propylacetamide?
2-(4-amino-2-bromophenoxy)-N-propylacetamide has a molecular weight of 287.16 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-bromophenoxy)-N-propylacetamide is sourced from PubChem (CID 155894555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).