N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

C12H10F6N2O2 — CID 101057685

IUPACN-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESCc1cc(N)c(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1C
InChIInChI=1S/C12H10F6N2O2/c1-5-3-7(19)8(4-6(5)2)20(9(21)11(13,14)15)10(22)12(16,17)18/h3-4H,19H2,1-2H3
InChIKeyZJTNLHAARXCIFT-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.87
Rot. Bonds1

About N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (PubChem CID 101057685) has the molecular formula C12H10F6N2O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
PubChem CID101057685
Molecular FormulaC12H10F6N2O2
Molecular Weight328.21 g/mol
Exact Mass328.06
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESCc1cc(N)c(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1C
InChIInChI=1S/C12H10F6N2O2/c1-5-3-7(19)8(4-6(5)2)20(9(21)11(13,14)15)10(22)12(16,17)18/h3-4H,19H2,1-2H3
InChIKeyZJTNLHAARXCIFT-UHFFFAOYSA-N
XLogP2.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (CID 101057685) is N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is Cc1cc(N)c(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The InChIKey is ZJTNLHAARXCIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N2O2/c1-5-3-7(19)8(4-6(5)2)20(9(21)11(13,14)15)10(22)12(16,17)18/h3-4H,19H2,1-2H3.
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide has a molecular weight of 328.21 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is sourced from PubChem (CID 101057685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).