N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide

C8H7FINOS — CID 79771427

IUPACN-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc(F)cc1I
InChIInChI=1S/C8H7FINOS/c9-5-1-2-7(6(10)3-5)11-8(12)4-13/h1-3,13H,4H2,(H,11,12)
InChIKeyRFTWAGHQNNPGRJ-UHFFFAOYSA-N
MW311.12 g/mol
LogP2.30
Rot. Bonds2

About N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide

N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide (PubChem CID 79771427) has the molecular formula C8H7FINOS and a molecular weight of 311.12 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
PubChem CID79771427
Molecular FormulaC8H7FINOS
Molecular Weight311.12 g/mol
Exact Mass310.93
IUPAC NameN-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc(F)cc1I
InChIInChI=1S/C8H7FINOS/c9-5-1-2-7(6(10)3-5)11-8(12)4-13/h1-3,13H,4H2,(H,11,12)
InChIKeyRFTWAGHQNNPGRJ-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
CID 79766480
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482
N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide
CID 79766038
2-(4-bromophenyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79765971
N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79766531
N-(4-fluoro-2-iodophenyl)-2-(2-methoxyethoxy)acetamide
CID 103737178
N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide
CID 79767023
N-(4-fluoro-2-iodophenyl)-2-(4-methoxyphenyl)acetamide
CID 79767117
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide
CID 79766967
2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79766274

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide (CID 79771427) is N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide is O=C(CS)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide?
The InChIKey is RFTWAGHQNNPGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FINOS/c9-5-1-2-7(6(10)3-5)11-8(12)4-13/h1-3,13H,4H2,(H,11,12).
What are the key properties of N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide?
N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide has a molecular weight of 311.12 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 79771427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).