2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide

C12H12F3N3O — CID 65483186

IUPAC2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3O/c1-11(2,17)10(19)18-8-4-3-7(6-16)9(5-8)12(13,14)15/h3-5H,17H2,1-2H3,(H,18,19)
InChIKeyJGWMVTSXIRRSPQ-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.25
Rot. Bonds2

About 2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide

2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide (PubChem CID 65483186) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide
PubChem CID65483186
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3O/c1-11(2,17)10(19)18-8-4-3-7(6-16)9(5-8)12(13,14)15/h3-5H,17H2,1-2H3,(H,18,19)
InChIKeyJGWMVTSXIRRSPQ-UHFFFAOYSA-N
XLogP2.25
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide (CID 65483186) is 2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide is CC(C)(N)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The InChIKey is JGWMVTSXIRRSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-11(2,17)10(19)18-8-4-3-7(6-16)9(5-8)12(13,14)15/h3-5H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide has a molecular weight of 271.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 65483186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).