N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide

C13H17FINO — CID 106547719

IUPACN-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide
SMILESCCC(C)(C)CNC(=O)c1ccc(F)cc1I
InChIInChI=1S/C13H17FINO/c1-4-13(2,3)8-16-12(17)10-6-5-9(14)7-11(10)15/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyIIXTYWGREYQETQ-UHFFFAOYSA-N
MW349.19 g/mol
LogP3.60
Rot. Bonds4

About N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide

N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide (PubChem CID 106547719) has the molecular formula C13H17FINO and a molecular weight of 349.19 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide
PubChem CID106547719
Molecular FormulaC13H17FINO
Molecular Weight349.19 g/mol
Exact Mass349.03
IUPAC NameN-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide
SMILESCCC(C)(C)CNC(=O)c1ccc(F)cc1I
InChIInChI=1S/C13H17FINO/c1-4-13(2,3)8-16-12(17)10-6-5-9(14)7-11(10)15/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyIIXTYWGREYQETQ-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide
CID 103709318
2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 103463889
3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
CID 115596361
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585
N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692
N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
CID 81483936
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 113265912
methyl 4-[(4-fluoro-2-iodobenzoyl)amino]butanoate
CID 39704784
N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119995600

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide?
The IUPAC name of N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide (CID 106547719) is N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide is CCC(C)(C)CNC(=O)c1ccc(F)cc1I.
What is the InChIKey of N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide?
The InChIKey is IIXTYWGREYQETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FINO/c1-4-13(2,3)8-16-12(17)10-6-5-9(14)7-11(10)15/h5-7H,4,8H2,1-3H3,(H,16,17).
What are the key properties of N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide?
N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide has a molecular weight of 349.19 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide is sourced from PubChem (CID 106547719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).