2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide

C12H14F4N2O — CID 61227651

IUPAC2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
SMILESCC(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N(C)C
InChIInChI=1S/C12H14F4N2O/c1-7(11(19)18(2)3)17-8-4-5-10(13)9(6-8)12(14,15)16/h4-7,17H,1-3H3
InChIKeyXMEWZXMRJMXLMT-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.73
Rot. Bonds3

About 2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide

2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide (PubChem CID 61227651) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
PubChem CID61227651
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
SMILESCC(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N(C)C
InChIInChI=1S/C12H14F4N2O/c1-7(11(19)18(2)3)17-8-4-5-10(13)9(6-8)12(14,15)16/h4-7,17H,1-3H3
InChIKeyXMEWZXMRJMXLMT-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-carbamothioyl-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 61467852
3-[4-fluoro-3-(trifluoromethyl)anilino]-2-methylbutanoic acid
CID 79390899
2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide
CID 61464522
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide
CID 95164173
4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline
CID 63455608
2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
CID 61229010
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
N,N-dimethyl-2-(3-methylanilino)propanamide
CID 43085843
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
2-[4-amino-3-(trifluoromethyl)anilino]propanamide
CID 43545460
2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide
CID 114001769
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 61457742

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide (CID 61227651) is 2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide is CC(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N(C)C.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide?
The InChIKey is XMEWZXMRJMXLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-7(11(19)18(2)3)17-8-4-5-10(13)9(6-8)12(14,15)16/h4-7,17H,1-3H3.
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide?
2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide has a molecular weight of 278.25 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61227651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).