3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide

C14H18F4N2O — CID 103824330

IUPAC3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H18F4N2O/c1-13(2,12(21)19-3)8-20-7-9-4-5-10(15)6-11(9)14(16,17)18/h4-6,20H,7-8H2,1-3H3,(H,19,21)
InChIKeyQISXXTPPFZMMTB-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.71
Rot. Bonds5

About 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide

3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide (PubChem CID 103824330) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
PubChem CID103824330
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H18F4N2O/c1-13(2,12(21)19-3)8-20-7-9-4-5-10(15)6-11(9)14(16,17)18/h4-6,20H,7-8H2,1-3H3,(H,19,21)
InChIKeyQISXXTPPFZMMTB-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299
3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 106276943
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103821545
2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114941536
3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 113278332
3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824288
3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824416
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 103952707
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
CID 117115013
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4,4-dimethylpent-2-enamide
CID 72689731
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706350
3-[(2,3-dihydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 113357962

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide (CID 103824330) is 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide?
The InChIKey is QISXXTPPFZMMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-13(2,12(21)19-3)8-20-7-9-4-5-10(15)6-11(9)14(16,17)18/h4-6,20H,7-8H2,1-3H3,(H,19,21).
What are the key properties of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide?
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide has a molecular weight of 306.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103824330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).