2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C17H22F3N3O3 — CID 47079026

IUPAC2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCCOc1ccc(NCC(=O)NCC(=O)N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H22F3N3O3/c1-2-26-12-5-6-14(13(9-12)17(18,19)20)21-10-15(24)22-11-16(25)23-7-3-4-8-23/h5-6,9,21H,2-4,7-8,10-11H2,1H3,(H,22,24)
InChIKeyQXRDABJZDKJPKD-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.25
Rot. Bonds7

About 2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 47079026) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID47079026
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCCOc1ccc(NCC(=O)NCC(=O)N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H22F3N3O3/c1-2-26-12-5-6-14(13(9-12)17(18,19)20)21-10-15(24)22-11-16(25)23-7-3-4-8-23/h5-6,9,21H,2-4,7-8,10-11H2,1H3,(H,22,24)
InChIKeyQXRDABJZDKJPKD-UHFFFAOYSA-N
XLogP2.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 47079026) is 2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is CCOc1ccc(NCC(=O)NCC(=O)N2CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is QXRDABJZDKJPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-2-26-12-5-6-14(13(9-12)17(18,19)20)21-10-15(24)22-11-16(25)23-7-3-4-8-23/h5-6,9,21H,2-4,7-8,10-11H2,1H3,(H,22,24).
What are the key properties of 2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 373.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethoxy-2-(trifluoromethyl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 47079026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).