2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide

C12H12BrNO3 — CID 61390786

IUPAC2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1c(Br)cccc1C=O
InChIInChI=1S/C12H12BrNO3/c1-2-6-14-11(16)8-17-12-9(7-15)4-3-5-10(12)13/h2-5,7H,1,6,8H2,(H,14,16)
InChIKeyVNUFNLCEDADHCX-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.94
Rot. Bonds6

About 2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide

2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide (PubChem CID 61390786) has the molecular formula C12H12BrNO3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide
PubChem CID61390786
Molecular FormulaC12H12BrNO3
Molecular Weight298.14 g/mol
Exact Mass297.00
IUPAC Name2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1c(Br)cccc1C=O
InChIInChI=1S/C12H12BrNO3/c1-2-6-14-11(16)8-17-12-9(7-15)4-3-5-10(12)13/h2-5,7H,1,6,8H2,(H,14,16)
InChIKeyVNUFNLCEDADHCX-UHFFFAOYSA-N
XLogP1.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide
CID 61391421
3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde
CID 61391450
2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 63060124
2-(3-iodophenoxy)-N-prop-2-enylacetamide
CID 60626724
[2-oxo-2-(prop-2-enylamino)ethyl] 2-bromobenzoate
CID 2623905
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 112609262
3-[3-bromo-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoic acid
CID 76899331
N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide
CID 115955676
2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 47449431
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-prop-2-enylacetamide
CID 112619909
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide (CID 61390786) is 2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1c(Br)cccc1C=O.
What is the InChIKey of 2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide?
The InChIKey is VNUFNLCEDADHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3/c1-2-6-14-11(16)8-17-12-9(7-15)4-3-5-10(12)13/h2-5,7H,1,6,8H2,(H,14,16).
What are the key properties of 2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide?
2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide has a molecular weight of 298.14 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 61390786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).