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

C14H11FINOS — CID 79766642

IUPACN-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(F)cc2I)cc1
InChIInChI=1S/C14H11FINOS/c1-19-11-5-2-9(3-6-11)14(18)17-13-7-4-10(15)8-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeySPZJDMLDHBHJBV-UHFFFAOYSA-N
MW387.22 g/mol
LogP4.40
Rot. Bonds3

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

N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide (PubChem CID 79766642) has the molecular formula C14H11FINOS and a molecular weight of 387.22 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide
PubChem CID79766642
Molecular FormulaC14H11FINOS
Molecular Weight387.22 g/mol
Exact Mass386.96
IUPAC NameN-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(F)cc2I)cc1
InChIInChI=1S/C14H11FINOS/c1-19-11-5-2-9(3-6-11)14(18)17-13-7-4-10(15)8-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeySPZJDMLDHBHJBV-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide
CID 79758879
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
CID 531959
N-(4-fluoro-2-iodophenyl)-3-hydroxy-4-methylbenzamide
CID 79766392
N-[5-(4-fluorophenyl)-2-hydroxyphenyl]-4-methylsulfanylbenzamide
CID 168913853
N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
CID 43980967
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79769352
3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768442
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide (CID 79766642) is N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2ccc(F)cc2I)cc1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide?
The InChIKey is SPZJDMLDHBHJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FINOS/c1-19-11-5-2-9(3-6-11)14(18)17-13-7-4-10(15)8-12(13)16/h2-8H,1H3,(H,17,18).
What are the key properties of N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide?
N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide has a molecular weight of 387.22 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 79766642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).