2-(3-amino-4-bromophenoxy)acetamide

C8H9BrN2O2 — CID 97033765

IUPAC2-(3-amino-4-bromophenoxy)acetamide
SMILESNC(=O)COc1ccc(Br)c(N)c1
InChIInChI=1S/C8H9BrN2O2/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4,10H2,(H2,11,12)
InChIKeyVSDZSPKREGIEFZ-UHFFFAOYSA-N
MW245.08 g/mol
LogP0.90
Rot. Bonds3

About 2-(3-amino-4-bromophenoxy)acetamide

2-(3-amino-4-bromophenoxy)acetamide (PubChem CID 97033765) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2-(3-amino-4-bromophenoxy)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-bromophenoxy)acetamide
PubChem CID97033765
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name2-(3-amino-4-bromophenoxy)acetamide
SMILESNC(=O)COc1ccc(Br)c(N)c1
InChIInChI=1S/C8H9BrN2O2/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4,10H2,(H2,11,12)
InChIKeyVSDZSPKREGIEFZ-UHFFFAOYSA-N
XLogP0.90
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 50.90
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-(4-bromo-3-chlorophenoxy)acetamide
CID 130655715
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
CID 62083592
2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide
CID 43736688
CID 88969762
CID 88969762
2-(2-bromo-5-fluorophenoxy)acetamide
CID 81494596
2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
CID 63333006
bis(3-amino-4-bromophenoxy)-oxophosphanium
CID 57222825
[6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide
CID 177492054
3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(4-bromo-3-methylphenyl)prop-2-enamide
CID 76854308
2-(3-ethoxy-4-ethylphenoxy)acetamide
CID 141024835

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-bromophenoxy)acetamide?
The IUPAC name of 2-(3-amino-4-bromophenoxy)acetamide (CID 97033765) is 2-(3-amino-4-bromophenoxy)acetamide.
What is the SMILES notation for 2-(3-amino-4-bromophenoxy)acetamide?
The canonical SMILES for 2-(3-amino-4-bromophenoxy)acetamide is NC(=O)COc1ccc(Br)c(N)c1.
What is the InChIKey of 2-(3-amino-4-bromophenoxy)acetamide?
The InChIKey is VSDZSPKREGIEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4,10H2,(H2,11,12).
What are the key properties of 2-(3-amino-4-bromophenoxy)acetamide?
2-(3-amino-4-bromophenoxy)acetamide has a molecular weight of 245.08 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-bromophenoxy)acetamide is sourced from PubChem (CID 97033765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).