N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H15F3N2O — CID 8003012

IUPACN-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cc(C)cc(NC(=O)CNCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-8-3-9(2)5-10(4-8)17-11(18)6-16-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyLYMXUEAXUULAKO-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.39
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 8003012) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID8003012
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cc(C)cc(NC(=O)CNCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-8-3-9(2)5-10(4-8)17-11(18)6-16-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyLYMXUEAXUULAKO-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 8003012) is N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1cc(C)cc(NC(=O)CNCC(F)(F)F)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LYMXUEAXUULAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8-3-9(2)5-10(4-8)17-11(18)6-16-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 260.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 8003012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).