2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide

C11H11ClF3NO3 — CID 81340130

IUPAC2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NOCC(F)(F)F
InChIInChI=1S/C11H11ClF3NO3/c1-18-9-3-2-8(12)4-7(9)5-10(17)16-19-6-11(13,14)15/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyIJZSQROQFZOLHR-UHFFFAOYSA-N
MW297.66 g/mol
LogP2.50
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide

2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81340130) has the molecular formula C11H11ClF3NO3 and a molecular weight of 297.66 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81340130
Molecular FormulaC11H11ClF3NO3
Molecular Weight297.66 g/mol
Exact Mass297.04
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NOCC(F)(F)F
InChIInChI=1S/C11H11ClF3NO3/c1-18-9-3-2-8(12)4-7(9)5-10(17)16-19-6-11(13,14)15/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyIJZSQROQFZOLHR-UHFFFAOYSA-N
XLogP2.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide (CID 81340130) is 2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide is COc1ccc(Cl)cc1CC(=O)NOCC(F)(F)F.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is IJZSQROQFZOLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO3/c1-18-9-3-2-8(12)4-7(9)5-10(17)16-19-6-11(13,14)15/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 297.66 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81340130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).