3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide

C13H18F2N2O — CID 103824416

IUPAC3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-13(2,12(18)16-3)8-17-7-9-4-5-10(14)11(15)6-9/h4-6,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyMZGJYMLBFGGBFX-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.83
Rot. Bonds5

About 3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide

3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide (PubChem CID 103824416) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide
PubChem CID103824416
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-13(2,12(18)16-3)8-17-7-9-4-5-10(14)11(15)6-9/h4-6,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyMZGJYMLBFGGBFX-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824288
3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide
CID 106275482
3-[(3-bromo-4-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824276
3-[(3,4-difluorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170453
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
CID 103824330
3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 106276943
3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 113278332
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
methyl 3-[(3,4-difluorophenyl)methylamino]propanoate
CID 43088323
[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
CID 43744882
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide (CID 103824416) is 3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCc1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide?
The InChIKey is MZGJYMLBFGGBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-13(2,12(18)16-3)8-17-7-9-4-5-10(14)11(15)6-9/h4-6,17H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide?
3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide has a molecular weight of 256.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103824416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).