4-iodo-N-(4,4,4-trifluorobutyl)benzamide

C11H11F3INO — CID 79039211

IUPAC4-iodo-N-(4,4,4-trifluorobutyl)benzamide
SMILESO=C(NCCCC(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C11H11F3INO/c12-11(13,14)6-1-7-16-10(17)8-2-4-9(15)5-3-8/h2-5H,1,6-7H2,(H,16,17)
InChIKeyWRZMVSCZJKWJNX-UHFFFAOYSA-N
MW357.11 g/mol
LogP3.36
Rot. Bonds4

About 4-iodo-N-(4,4,4-trifluorobutyl)benzamide

4-iodo-N-(4,4,4-trifluorobutyl)benzamide (PubChem CID 79039211) has the molecular formula C11H11F3INO and a molecular weight of 357.11 g/mol. Its IUPAC name is 4-iodo-N-(4,4,4-trifluorobutyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(4,4,4-trifluorobutyl)benzamide
PubChem CID79039211
Molecular FormulaC11H11F3INO
Molecular Weight357.11 g/mol
Exact Mass356.98
IUPAC Name4-iodo-N-(4,4,4-trifluorobutyl)benzamide
SMILESO=C(NCCCC(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C11H11F3INO/c12-11(13,14)6-1-7-16-10(17)8-2-4-9(15)5-3-8/h2-5H,1,6-7H2,(H,16,17)
InChIKeyWRZMVSCZJKWJNX-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide
CID 115522193
3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 104629259
4-(aminomethyl)-N-(4,4,4-trifluorobutyl)benzamide;hydrochloride
CID 119322430
4-iodo-N-(3-iodopropyl)benzamide
CID 114504016
4-(4,4,4-trifluorobutylcarbamoyl)benzenesulfonyl chloride
CID 115519611
2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 113246125
4-iodo-N-(6-iodohexyl)benzamide
CID 107848472
4-(3-aminoprop-1-ynyl)-N-(4,4,4-trifluorobutyl)benzamide
CID 115521811
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
4-[(E)-N'-hydroxycarbamimidoyl]-N-(5,5,5-trifluoropentyl)benzamide
CID 115521654
6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 79420880
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(4,4,4-trifluorobutyl)benzamide?
The IUPAC name of 4-iodo-N-(4,4,4-trifluorobutyl)benzamide (CID 79039211) is 4-iodo-N-(4,4,4-trifluorobutyl)benzamide.
What is the SMILES notation for 4-iodo-N-(4,4,4-trifluorobutyl)benzamide?
The canonical SMILES for 4-iodo-N-(4,4,4-trifluorobutyl)benzamide is O=C(NCCCC(F)(F)F)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(4,4,4-trifluorobutyl)benzamide?
The InChIKey is WRZMVSCZJKWJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO/c12-11(13,14)6-1-7-16-10(17)8-2-4-9(15)5-3-8/h2-5H,1,6-7H2,(H,16,17).
What are the key properties of 4-iodo-N-(4,4,4-trifluorobutyl)benzamide?
4-iodo-N-(4,4,4-trifluorobutyl)benzamide has a molecular weight of 357.11 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(4,4,4-trifluorobutyl)benzamide is sourced from PubChem (CID 79039211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).