2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide

C12H15F3N2O — CID 151441602

IUPAC2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide
SMILESCc1ccc(CNCC(F)(F)F)c(C)c1C(N)=O
InChIInChI=1S/C12H15F3N2O/c1-7-3-4-9(5-17-6-12(13,14)15)8(2)10(7)11(16)18/h3-4,17H,5-6H2,1-2H3,(H2,16,18)
InChIKeyPEQGXRBPWPTQQW-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.05
Rot. Bonds4

About 2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide

2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide (PubChem CID 151441602) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide
PubChem CID151441602
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide
SMILESCc1ccc(CNCC(F)(F)F)c(C)c1C(N)=O
InChIInChI=1S/C12H15F3N2O/c1-7-3-4-9(5-17-6-12(13,14)15)8(2)10(7)11(16)18/h3-4,17H,5-6H2,1-2H3,(H2,16,18)
InChIKeyPEQGXRBPWPTQQW-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide?
The IUPAC name of 2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide (CID 151441602) is 2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide?
The canonical SMILES for 2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide is Cc1ccc(CNCC(F)(F)F)c(C)c1C(N)=O.
What is the InChIKey of 2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide?
The InChIKey is PEQGXRBPWPTQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-7-3-4-9(5-17-6-12(13,14)15)8(2)10(7)11(16)18/h3-4,17H,5-6H2,1-2H3,(H2,16,18).
What are the key properties of 2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide?
2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide has a molecular weight of 260.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[(2,2,2-trifluoroethylamino)methyl]benzamide is sourced from PubChem (CID 151441602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).