2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide

C11H13ClFNO3 — CID 175308204

IUPAC2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1cc(F)c(Cl)cc1CC(N)=O
InChIInChI=1S/C11H13ClFNO3/c1-16-2-3-17-10-6-9(13)8(12)4-7(10)5-11(14)15/h4,6H,2-3,5H2,1H3,(H2,14,15)
InChIKeyXOLVPTPNZODLDZ-UHFFFAOYSA-N
MW261.68 g/mol
LogP1.53
Rot. Bonds6

About 2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide

2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 175308204) has the molecular formula C11H13ClFNO3 and a molecular weight of 261.68 g/mol. Its IUPAC name is 2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide
PubChem CID175308204
Molecular FormulaC11H13ClFNO3
Molecular Weight261.68 g/mol
Exact Mass261.06
IUPAC Name2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1cc(F)c(Cl)cc1CC(N)=O
InChIInChI=1S/C11H13ClFNO3/c1-16-2-3-17-10-6-9(13)8(12)4-7(10)5-11(14)15/h4,6H,2-3,5H2,1H3,(H2,14,15)
InChIKeyXOLVPTPNZODLDZ-UHFFFAOYSA-N
XLogP1.53
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide (CID 175308204) is 2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide is COCCOc1cc(F)c(Cl)cc1CC(N)=O.
What is the InChIKey of 2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is XOLVPTPNZODLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3/c1-16-2-3-17-10-6-9(13)8(12)4-7(10)5-11(14)15/h4,6H,2-3,5H2,1H3,(H2,14,15).
What are the key properties of 2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide?
2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 261.68 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-fluoro-2-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 175308204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).