2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide

C16H23F2NO2 — CID 70911212

IUPAC2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide
SMILESCCNC(=O)C(CC(C)(C)C)OCc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2NO2/c1-5-19-15(20)14(9-16(2,3)4)21-10-11-6-12(17)8-13(18)7-11/h6-8,14H,5,9-10H2,1-4H3,(H,19,20)
InChIKeyZQAQPPZACXCNAI-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.42
Rot. Bonds6

About 2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide

2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide (PubChem CID 70911212) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide
PubChem CID70911212
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide
SMILESCCNC(=O)C(CC(C)(C)C)OCc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2NO2/c1-5-19-15(20)14(9-16(2,3)4)21-10-11-6-12(17)8-13(18)7-11/h6-8,14H,5,9-10H2,1-4H3,(H,19,20)
InChIKeyZQAQPPZACXCNAI-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide 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-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide?
The IUPAC name of 2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide (CID 70911212) is 2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide?
The canonical SMILES for 2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide is CCNC(=O)C(CC(C)(C)C)OCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide?
The InChIKey is ZQAQPPZACXCNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-5-19-15(20)14(9-16(2,3)4)21-10-11-6-12(17)8-13(18)7-11/h6-8,14H,5,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide?
2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide has a molecular weight of 299.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methoxy]-N-ethyl-4,4-dimethylpentanamide is sourced from PubChem (CID 70911212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).