2-(3-bromophenoxy)-N-methoxyacetamide

C9H10BrNO3 — CID 60700558

IUPAC2-(3-bromophenoxy)-N-methoxyacetamide
SMILESCONC(=O)COc1cccc(Br)c1
InChIInChI=1S/C9H10BrNO3/c1-13-11-9(12)6-14-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyGFIMCVWNOMXSRL-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.51
Rot. Bonds4

About 2-(3-bromophenoxy)-N-methoxyacetamide

2-(3-bromophenoxy)-N-methoxyacetamide (PubChem CID 60700558) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-methoxyacetamide
PubChem CID60700558
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name2-(3-bromophenoxy)-N-methoxyacetamide
SMILESCONC(=O)COc1cccc(Br)c1
InChIInChI=1S/C9H10BrNO3/c1-13-11-9(12)6-14-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyGFIMCVWNOMXSRL-UHFFFAOYSA-N
XLogP1.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 7921241
N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
CID 30764659
2-[[2-(3-bromophenoxy)acetyl]amino]butanoic acid
CID 43387178
2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782426
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide
CID 78773270
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
CID 115577661
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 3530351

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-methoxyacetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-methoxyacetamide (CID 60700558) is 2-(3-bromophenoxy)-N-methoxyacetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-methoxyacetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-methoxyacetamide is CONC(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-methoxyacetamide?
The InChIKey is GFIMCVWNOMXSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-13-11-9(12)6-14-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of 2-(3-bromophenoxy)-N-methoxyacetamide?
2-(3-bromophenoxy)-N-methoxyacetamide has a molecular weight of 260.09 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-methoxyacetamide is sourced from PubChem (CID 60700558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).