2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C10H8ClF3INOS — CID 71014635

IUPAC2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccc(I)cc1Cl)NCC(F)(F)F
InChIInChI=1S/C10H8ClF3INOS/c11-7-3-6(15)1-2-8(7)18-4-9(17)16-5-10(12,13)14/h1-3H,4-5H2,(H,16,17)
InChIKeyCMUUPEURNYDICP-UHFFFAOYSA-N
MW409.60 g/mol
LogP3.72
Rot. Bonds4

About 2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71014635) has the molecular formula C10H8ClF3INOS and a molecular weight of 409.60 g/mol. Its IUPAC name is 2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71014635
Molecular FormulaC10H8ClF3INOS
Molecular Weight409.60 g/mol
Exact Mass408.90
IUPAC Name2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccc(I)cc1Cl)NCC(F)(F)F
InChIInChI=1S/C10H8ClF3INOS/c11-7-3-6(15)1-2-8(7)18-4-9(17)16-5-10(12,13)14/h1-3H,4-5H2,(H,16,17)
InChIKeyCMUUPEURNYDICP-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 53.72
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

2-[(4-chlorophenyl)sulfanyl]-N-ethylpropanamide
CID 2865304
2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide
CID 2272364
N-allyl-2-[(4-chlorophenyl)thio]propanamide
CID 2889882
4-(2-Chloro-4-fluorophenyl)sulfanylazetidin-2-one
CID 118526716
2-Fluoro-N-(2,2,2-trichloro-1-(4-chloro-phenylsulfanyl)-ethyl)-acetamide
CID 2830317
2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide
CID 155928372
2-[(4-chlorophenyl)sulfanyl]-N-methylacetamide
CID 846759
2-(4-chlorophenyl)sulfanyl-N-ethylacetamide
CID 875475
N-allyl-3-[(4-chlorophenyl)thio]propanamide
CID 2270949
2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide
CID 2382797
2,2,2-trifluoro-N-(2-phenylsulfanylethyl)acetamide
CID 10682054
N-[2-(3-chlorophenyl)sulfanylethyl]-2,2,2-trifluoroacetamide
CID 91538015

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71014635) is 2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1ccc(I)cc1Cl)NCC(F)(F)F.
What is the InChIKey of 2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CMUUPEURNYDICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3INOS/c11-7-3-6(15)1-2-8(7)18-4-9(17)16-5-10(12,13)14/h1-3H,4-5H2,(H,16,17).
What are the key properties of 2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 409.60 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71014635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).