N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide

C14H19FINOS — CID 103709318

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide
SMILESCCC(CC)(CNC(=O)c1ccc(F)cc1I)SC
InChIInChI=1S/C14H19FINOS/c1-4-14(5-2,19-3)9-17-13(18)11-7-6-10(15)8-12(11)16/h6-8H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyOFKYPFCGYLGDDK-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.08
Rot. Bonds6

About N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide

N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide (PubChem CID 103709318) has the molecular formula C14H19FINOS and a molecular weight of 395.28 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide
PubChem CID103709318
Molecular FormulaC14H19FINOS
Molecular Weight395.28 g/mol
Exact Mass395.02
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide
SMILESCCC(CC)(CNC(=O)c1ccc(F)cc1I)SC
InChIInChI=1S/C14H19FINOS/c1-4-14(5-2,19-3)9-17-13(18)11-7-6-10(15)8-12(11)16/h6-8H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyOFKYPFCGYLGDDK-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide
CID 106547719
N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide
CID 113245162
4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103812552
3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
CID 115596361
N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide
CID 103712019
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103822118
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103709313
2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)-5-methylbenzamide
CID 113259213
2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113478497
N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
CID 81483936
N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119995600
methyl 4-[(4-fluoro-2-iodobenzoyl)amino]butanoate
CID 39704784

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide (CID 103709318) is N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide is CCC(CC)(CNC(=O)c1ccc(F)cc1I)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide?
The InChIKey is OFKYPFCGYLGDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FINOS/c1-4-14(5-2,19-3)9-17-13(18)11-7-6-10(15)8-12(11)16/h6-8H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide?
N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide has a molecular weight of 395.28 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide is sourced from PubChem (CID 103709318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).