N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide

C11H11F3N2O2 — CID 759174

IUPACN-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)=O)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2/c1-6(17)15-8-3-4-10(16-7(2)18)9(5-8)11(12,13)14/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyFLMWPELZPVLUCO-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.62
Rot. Bonds2

About N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide

N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 759174) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide
PubChem CID759174
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC NameN-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)=O)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2/c1-6(17)15-8-3-4-10(16-7(2)18)9(5-8)11(12,13)14/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyFLMWPELZPVLUCO-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide (CID 759174) is N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(NC(C)=O)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FLMWPELZPVLUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-6(17)15-8-3-4-10(16-7(2)18)9(5-8)11(12,13)14/h3-5H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide?
N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 260.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 759174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).