3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide

C13H18F2N2O — CID 113383872

IUPAC3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
SMILESCC(NCC(C)(C)C(N)=O)c1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O/c1-8(17-7-13(2,3)12(16)18)11-9(14)5-4-6-10(11)15/h4-6,8,17H,7H2,1-3H3,(H2,16,18)
InChIKeyFRGBYDQKXMKFFM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.13
Rot. Bonds5

About 3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide

3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide (PubChem CID 113383872) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
PubChem CID113383872
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
SMILESCC(NCC(C)(C)C(N)=O)c1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O/c1-8(17-7-13(2,3)12(16)18)11-9(14)5-4-6-10(11)15/h4-6,8,17H,7H2,1-3H3,(H2,16,18)
InChIKeyFRGBYDQKXMKFFM-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2,6-difluorophenyl)ethylamino]-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

2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784261
3-chloro-N-[1-(2,6-difluorophenyl)ethyl]-2,2-dimethylpropanamide
CID 63680759
3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide
CID 99853754
3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
CID 107093925
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
CID 43499407
N-[1-(2,6-difluorophenyl)ethyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103711309
3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide
CID 97258604
2,2-dimethyl-3-[[(1S)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636575
2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide
CID 115903334

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide (CID 113383872) is 3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide is CC(NCC(C)(C)C(N)=O)c1c(F)cccc1F.
What is the InChIKey of 3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide?
The InChIKey is FRGBYDQKXMKFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8(17-7-13(2,3)12(16)18)11-9(14)5-4-6-10(11)15/h4-6,8,17H,7H2,1-3H3,(H2,16,18).
What are the key properties of 3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide?
3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide has a molecular weight of 256.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 113383872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).