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

C10H13BrN2O2 — CID 65430348

IUPAC2-(2-amino-4-bromophenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(Br)cc1N
InChIInChI=1S/C10H13BrN2O2/c1-2-13-10(14)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyLCUQIALWJVDMIB-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.55
Rot. Bonds4

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

2-(2-amino-4-bromophenoxy)-N-ethylacetamide (PubChem CID 65430348) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenoxy)-N-ethylacetamide
PubChem CID65430348
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(2-amino-4-bromophenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(Br)cc1N
InChIInChI=1S/C10H13BrN2O2/c1-2-13-10(14)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyLCUQIALWJVDMIB-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.55
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

3-(2-amino-4-bromophenoxy)-N-ethylpropanamide
CID 65430157
2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 65430722
2-(2-amino-4-bromophenoxy)-N-benzylacetamide
CID 65429040
2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide
CID 82914401
2-(2-amino-4-bromophenoxy)-N-(4-bromophenyl)acetamide
CID 65430170
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide
CID 62393036
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
butyl 2-(2-amino-4-bromophenoxy)acetate
CID 65429791
2-(4-aminonaphthalen-1-yl)oxy-N-ethylacetamide
CID 63690637
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62393116
2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
CID 80601766

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenoxy)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-4-bromophenoxy)-N-ethylacetamide (CID 65430348) is 2-(2-amino-4-bromophenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-4-bromophenoxy)-N-ethylacetamide is CCNC(=O)COc1ccc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromophenoxy)-N-ethylacetamide?
The InChIKey is LCUQIALWJVDMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-2-13-10(14)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-amino-4-bromophenoxy)-N-ethylacetamide?
2-(2-amino-4-bromophenoxy)-N-ethylacetamide has a molecular weight of 273.13 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenoxy)-N-ethylacetamide is sourced from PubChem (CID 65430348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).