2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide

C12H14BrClN2O4 — CID 17425124

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C12H14BrClN2O4/c1-19-5-4-15-12(18)16-11(17)7-20-10-3-2-8(14)6-9(10)13/h2-3,6H,4-5,7H2,1H3,(H2,15,16,17,18)
InChIKeyIWXGTTZXLXMWGS-UHFFFAOYSA-N
MW365.61 g/mol
LogP1.95
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide

2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 17425124) has the molecular formula C12H14BrClN2O4 and a molecular weight of 365.61 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID17425124
Molecular FormulaC12H14BrClN2O4
Molecular Weight365.61 g/mol
Exact Mass363.98
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C12H14BrClN2O4/c1-19-5-4-15-12(18)16-11(17)7-20-10-3-2-8(14)6-9(10)13/h2-3,6H,4-5,7H2,1H3,(H2,15,16,17,18)
InChIKeyIWXGTTZXLXMWGS-UHFFFAOYSA-N
XLogP1.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide (CID 17425124) is 2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is IWXGTTZXLXMWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O4/c1-19-5-4-15-12(18)16-11(17)7-20-10-3-2-8(14)6-9(10)13/h2-3,6H,4-5,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 365.61 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 17425124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).