3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide

C11H11F3INO — CID 104854865

IUPAC3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
SMILESCC(CC(F)(F)F)NC(=O)c1cccc(I)c1
InChIInChI=1S/C11H11F3INO/c1-7(6-11(12,13)14)16-10(17)8-3-2-4-9(15)5-8/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyYZVYZPKKPUPLTO-UHFFFAOYSA-N
MW357.11 g/mol
LogP3.36
Rot. Bonds3

About 3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide

3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide (PubChem CID 104854865) has the molecular formula C11H11F3INO and a molecular weight of 357.11 g/mol. Its IUPAC name is 3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
PubChem CID104854865
Molecular FormulaC11H11F3INO
Molecular Weight357.11 g/mol
Exact Mass356.98
IUPAC Name3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
SMILESCC(CC(F)(F)F)NC(=O)c1cccc(I)c1
InChIInChI=1S/C11H11F3INO/c1-7(6-11(12,13)14)16-10(17)8-3-2-4-9(15)5-8/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyYZVYZPKKPUPLTO-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-iodo-N-pentan-2-ylbenzamide
CID 2886291
N-(1-chloropropan-2-yl)-3-iodobenzamide
CID 114299662
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
N-(4-chlorobutan-2-yl)-3-iodobenzamide
CID 83187759
4-fluoro-3-methyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461612
5-iodo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
CID 104854913
3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 60722842
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
CID 130166251
3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854902
3-iodo-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100513830
N-but-3-yn-2-yl-3-iodobenzamide
CID 114389760

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The IUPAC name of 3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide (CID 104854865) is 3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide.
What is the SMILES notation for 3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The canonical SMILES for 3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide is CC(CC(F)(F)F)NC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The InChIKey is YZVYZPKKPUPLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO/c1-7(6-11(12,13)14)16-10(17)8-3-2-4-9(15)5-8/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide?
3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide has a molecular weight of 357.11 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide is sourced from PubChem (CID 104854865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).