2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide

C11H11F3N2O2 — CID 175043157

IUPAC2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCc1c(NC(=O)C(F)(F)F)ccc(C(N)=O)c1C
InChIInChI=1S/C11H11F3N2O2/c1-5-6(2)8(4-3-7(5)9(15)17)16-10(18)11(12,13)14/h3-4H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyBWXFBJLIFZENSP-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.90
Rot. Bonds2

About 2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide

2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 175043157) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID175043157
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCc1c(NC(=O)C(F)(F)F)ccc(C(N)=O)c1C
InChIInChI=1S/C11H11F3N2O2/c1-5-6(2)8(4-3-7(5)9(15)17)16-10(18)11(12,13)14/h3-4H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyBWXFBJLIFZENSP-UHFFFAOYSA-N
XLogP1.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of 2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 175043157) is 2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for 2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for 2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide is Cc1c(NC(=O)C(F)(F)F)ccc(C(N)=O)c1C.
What is the InChIKey of 2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is BWXFBJLIFZENSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-5-6(2)8(4-3-7(5)9(15)17)16-10(18)11(12,13)14/h3-4H,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 260.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 175043157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).