3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide

C13H17FN2O3 — CID 56813730

IUPAC3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)COc1cccc(F)c1)C(N)=O
InChIInChI=1S/C13H17FN2O3/c1-13(2,12(15)18)8-16-11(17)7-19-10-5-3-4-9(14)6-10/h3-6H,7-8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyRJIVSRTWCPBZTL-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.83
Rot. Bonds6

About 3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide

3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide (PubChem CID 56813730) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide
PubChem CID56813730
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)COc1cccc(F)c1)C(N)=O
InChIInChI=1S/C13H17FN2O3/c1-13(2,12(15)18)8-16-11(17)7-19-10-5-3-4-9(14)6-10/h3-6H,7-8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyRJIVSRTWCPBZTL-UHFFFAOYSA-N
XLogP0.83
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

Mefexamide
CID 4045
2-(4-Fluoro-phenoxy)-N-(2-pyrrolidin-1-yl-ethyl)-acetamide
CID 2947598
N-cyclohexyl-2-phenoxyacetamide
CID 832666
2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
CID 44288209
N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 80619
Acylglycineboronic acid, 8
CID 52939987
(R)-2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
CID 44288228
(S)-2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
CID 44288229
(R)-2-Cyano-N-[(R)-2-(2-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
CID 44288298
2-Cyano-N-[(R)-2-(4-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
CID 44288299
2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3-methyl-butyramide
CID 44288326
(R)-2-Cyano-N-[(R)-2-(2,3-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
CID 44288642

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide (CID 56813730) is 3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide is CC(C)(CNC(=O)COc1cccc(F)c1)C(N)=O.
What is the InChIKey of 3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide?
The InChIKey is RJIVSRTWCPBZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-13(2,12(15)18)8-16-11(17)7-19-10-5-3-4-9(14)6-10/h3-6H,7-8H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide?
3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide has a molecular weight of 268.29 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluorophenoxy)acetyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 56813730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).