N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide

C12H11F3N2O3 — CID 21316006

IUPACN-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)Nc1cc(NC(=O)C(F)(F)F)cc(C(C)=O)c1
InChIInChI=1S/C12H11F3N2O3/c1-6(18)8-3-9(16-7(2)19)5-10(4-8)17-11(20)12(13,14)15/h3-5H,1-2H3,(H,16,19)(H,17,20)
InChIKeyQMISSOYSQDGQCH-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.35
Rot. Bonds3

About N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide

N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 21316006) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide
PubChem CID21316006
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC NameN-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)Nc1cc(NC(=O)C(F)(F)F)cc(C(C)=O)c1
InChIInChI=1S/C12H11F3N2O3/c1-6(18)8-3-9(16-7(2)19)5-10(4-8)17-11(20)12(13,14)15/h3-5H,1-2H3,(H,16,19)(H,17,20)
InChIKeyQMISSOYSQDGQCH-UHFFFAOYSA-N
XLogP2.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Acetanilide, 3'-acetyl-2,2,2-trifluoro-
CID 673706
3-Aminobenzanilide
CID 84347
N-(4-Acetylphenyl)-2,2,2-trifluoroacetamide
CID 32487
N-[4-(1-oxopropyl)phenyl]acetamide
CID 85655
N-(p-acetylphenyl)acetamide
CID 75937
m-(N,N,N-Trimethylammonio)trifluoroacetophenone
CID 5492
N-(3-methylphenyl)-3-(trifluoromethyl)benzamide
CID 531807
N-(2-Acetylphenyl)acetamide
CID 21306
3'-(Trifluoromethyl)benzanilide
CID 280160
N-(4-Hydroxy-2-methyl-6-quinolinyl)acetamide
CID 308136
N-(3-Acetylphenyl)-2-chloroacetamide
CID 607174
2-amino-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1517275

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide (CID 21316006) is N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide is CC(=O)Nc1cc(NC(=O)C(F)(F)F)cc(C(C)=O)c1.
What is the InChIKey of N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is QMISSOYSQDGQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-6(18)8-3-9(16-7(2)19)5-10(4-8)17-11(20)12(13,14)15/h3-5H,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide?
N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 288.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 21316006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).