N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide

C9H8FIN2OS — CID 17100462

IUPACN-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccc(I)cc1F
InChIInChI=1S/C9H8FIN2OS/c1-5(14)12-9(15)13-8-3-2-6(11)4-7(8)10/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyZFXKDVSJBRJBPC-UHFFFAOYSA-N
MW338.15 g/mol
LogP2.26
Rot. Bonds1

About N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide

N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide (PubChem CID 17100462) has the molecular formula C9H8FIN2OS and a molecular weight of 338.15 g/mol. Its IUPAC name is N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide
PubChem CID17100462
Molecular FormulaC9H8FIN2OS
Molecular Weight338.15 g/mol
Exact Mass337.94
IUPAC NameN-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccc(I)cc1F
InChIInChI=1S/C9H8FIN2OS/c1-5(14)12-9(15)13-8-3-2-6(11)4-7(8)10/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyZFXKDVSJBRJBPC-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
CID 22780153
3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
CID 17104780
(E)-N-[(2-fluoro-4-iodophenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 22776560
N-(2-fluoro-4-iodophenyl)-2-methylbenzamide
CID 17102074
N-[(2,4-difluorophenyl)carbamothioyl]-2-methylpropanamide
CID 17099714
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide
CID 17099992
N-(2-fluoro-4-iodophenyl)-3-methylbenzamide
CID 17102075
2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
CID 15592636
N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 13109787
N-[(2-fluoro-4-iodophenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 17115383
4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
CID 1334183
N-(2-fluoro-4-iodophenyl)-2-phenylacetamide
CID 2993907

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide?
The IUPAC name of N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide (CID 17100462) is N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide.
What is the SMILES notation for N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide?
The canonical SMILES for N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide is CC(=O)NC(=S)Nc1ccc(I)cc1F.
What is the InChIKey of N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide?
The InChIKey is ZFXKDVSJBRJBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIN2OS/c1-5(14)12-9(15)13-8-3-2-6(11)4-7(8)10/h2-4H,1H3,(H2,12,13,14,15).
What are the key properties of N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide?
N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide has a molecular weight of 338.15 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide is sourced from PubChem (CID 17100462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).