2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide

C13H15BrN2O5 — CID 43627072

IUPAC2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide
SMILESCCOc1cc(C=O)cc(Br)c1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C13H15BrN2O5/c1-3-20-10-5-8(6-17)4-9(14)11(10)21-7(2)12(18)16-13(15)19/h4-7H,3H2,1-2H3,(H3,15,16,18,19)
InChIKeyIZFQYRGAOLLXFV-UHFFFAOYSA-N
MW359.18 g/mol
LogP1.62
Rot. Bonds6

About 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide

2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide (PubChem CID 43627072) has the molecular formula C13H15BrN2O5 and a molecular weight of 359.18 g/mol. Its IUPAC name is 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide
PubChem CID43627072
Molecular FormulaC13H15BrN2O5
Molecular Weight359.18 g/mol
Exact Mass358.02
IUPAC Name2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide
SMILESCCOc1cc(C=O)cc(Br)c1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C13H15BrN2O5/c1-3-20-10-5-8(6-17)4-9(14)11(10)21-7(2)12(18)16-13(15)19/h4-7H,3H2,1-2H3,(H3,15,16,18,19)
InChIKeyIZFQYRGAOLLXFV-UHFFFAOYSA-N
XLogP1.62
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide
CID 43627073
ethyl (2R)-2-(2-bromo-6-ethoxy-4-formylphenoxy)propanoate
CID 42573561
2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide
CID 62901389
N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide
CID 43117158
2-[2-bromo-4-(2-carboxyethenyl)-6-ethoxyphenoxy]propanoic acid
CID 76914316
2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoic acid
CID 4763755
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4,5-triethoxybenzoate
CID 2637745
N-carbamoyl-2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]propanamide
CID 107741741
3-bromo-5-ethoxy-4-[1-(ethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43627113
2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 107738224
2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide
CID 107738304
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201813

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide?
The IUPAC name of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide (CID 43627072) is 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide.
What is the SMILES notation for 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide?
The canonical SMILES for 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide is CCOc1cc(C=O)cc(Br)c1OC(C)C(=O)NC(N)=O.
What is the InChIKey of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide?
The InChIKey is IZFQYRGAOLLXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O5/c1-3-20-10-5-8(6-17)4-9(14)11(10)21-7(2)12(18)16-13(15)19/h4-7H,3H2,1-2H3,(H3,15,16,18,19).
What are the key properties of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide?
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide has a molecular weight of 359.18 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide is sourced from PubChem (CID 43627072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).