2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid

C11H10Cl3NO5 — CID 19848354

IUPAC2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid
SMILESNC(=O)c1c(Cl)cc(Cl)c(OCCOCC(=O)O)c1Cl
InChIInChI=1S/C11H10Cl3NO5/c12-5-3-6(13)10(9(14)8(5)11(15)18)20-2-1-19-4-7(16)17/h3H,1-2,4H2,(H2,15,18)(H,16,17)
InChIKeySSMDSXNIBDGZQL-UHFFFAOYSA-N
MW342.56 g/mol
LogP2.23
Rot. Bonds7

About 2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid

2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid (PubChem CID 19848354) has the molecular formula C11H10Cl3NO5 and a molecular weight of 342.56 g/mol. Its IUPAC name is 2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid
PubChem CID19848354
Molecular FormulaC11H10Cl3NO5
Molecular Weight342.56 g/mol
Exact Mass340.96
IUPAC Name2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid
SMILESNC(=O)c1c(Cl)cc(Cl)c(OCCOCC(=O)O)c1Cl
InChIInChI=1S/C11H10Cl3NO5/c12-5-3-6(13)10(9(14)8(5)11(15)18)20-2-1-19-4-7(16)17/h3H,1-2,4H2,(H2,15,18)(H,16,17)
InChIKeySSMDSXNIBDGZQL-UHFFFAOYSA-N
XLogP2.23
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.56
LogP ≤ 52.23
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-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid (CID 19848354) is 2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid is NC(=O)c1c(Cl)cc(Cl)c(OCCOCC(=O)O)c1Cl.
What is the InChIKey of 2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid?
The InChIKey is SSMDSXNIBDGZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO5/c12-5-3-6(13)10(9(14)8(5)11(15)18)20-2-1-19-4-7(16)17/h3H,1-2,4H2,(H2,15,18)(H,16,17).
What are the key properties of 2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid?
2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid has a molecular weight of 342.56 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid is sourced from PubChem (CID 19848354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).