2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide

C11H12BrNO3 — CID 60623792

IUPAC2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(C=O)cc1Br
InChIInChI=1S/C11H12BrNO3/c1-13(2)11(15)7-16-10-4-3-8(6-14)5-9(10)12/h3-6H,7H2,1-2H3
InChIKeyFVODBGCHTQPSKS-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.73
Rot. Bonds4

About 2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide

2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide (PubChem CID 60623792) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide
PubChem CID60623792
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(C=O)cc1Br
InChIInChI=1S/C11H12BrNO3/c1-13(2)11(15)7-16-10-4-3-8(6-14)5-9(10)12/h3-6H,7H2,1-2H3
InChIKeyFVODBGCHTQPSKS-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide
CID 894150
3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde
CID 60644525
2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide
CID 134970265
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
2-(2-bromo-4-formylphenoxy)-N-propylacetamide
CID 55025685
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
CID 55148691
3-bromo-4-(3-hydroxy-2-methylpropoxy)benzaldehyde
CID 115870724
2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 3955556
2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 41051814
2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9480867

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide (CID 60623792) is 2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc(C=O)cc1Br.
What is the InChIKey of 2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide?
The InChIKey is FVODBGCHTQPSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-13(2)11(15)7-16-10-4-3-8(6-14)5-9(10)12/h3-6H,7H2,1-2H3.
What are the key properties of 2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide?
2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide has a molecular weight of 286.12 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-formylphenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 60623792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).