2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide

C10H12BrNO3 — CID 86666324

IUPAC2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1ccc(O)cc1Br
InChIInChI=1S/C10H12BrNO3/c1-12(15-2)10(14)5-7-3-4-8(13)6-9(7)11/h3-4,6,13H,5H2,1-2H3
InChIKeyCTYKROLHMIPQOC-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.72
Rot. Bonds3

About 2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide

2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide (PubChem CID 86666324) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide
PubChem CID86666324
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1ccc(O)cc1Br
InChIInChI=1S/C10H12BrNO3/c1-12(15-2)10(14)5-7-3-4-8(13)6-9(7)11/h3-4,6,13H,5H2,1-2H3
InChIKeyCTYKROLHMIPQOC-UHFFFAOYSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.72
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

3-bromo-4-(ethoxymethyl)phenol
CID 117219830
1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one
CID 131190700
3-bromo-4-butylphenol
CID 20571557
3-bromo-4-(hydroxymethyl)phenol
CID 54447662
3-bromo-4-(sulfanylmethyl)phenol
CID 117219908
2-(3-ethylphenyl)-N-methoxy-N-methylacetamide
CID 87253905
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide
CID 164892784
2-(3-benzylphenyl)-N-methoxy-N-methylacetamide
CID 131737866
ethyl (E)-3-(2-bromo-4-hydroxyphenyl)prop-2-enoate
CID 118198345
2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
CID 115741782
2-[4-amino-3-(aminomethyl)phenyl]-N-methoxy-N-methylacetamide
CID 174908949

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide (CID 86666324) is 2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide is CON(C)C(=O)Cc1ccc(O)cc1Br.
What is the InChIKey of 2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide?
The InChIKey is CTYKROLHMIPQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-12(15-2)10(14)5-7-3-4-8(13)6-9(7)11/h3-4,6,13H,5H2,1-2H3.
What are the key properties of 2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide?
2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide has a molecular weight of 274.11 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 86666324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).