2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide

C15H11Br2FN2O2S — CID 3310435

IUPAC2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C15H11Br2FN2O2S/c16-9-1-6-13(12(17)7-9)22-8-14(21)20-15(23)19-11-4-2-10(18)3-5-11/h1-7H,8H2,(H2,19,20,21,23)
InChIKeyIHLYEZCPHHWCJZ-UHFFFAOYSA-N
MW462.14 g/mol
LogP4.24
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide

2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide (PubChem CID 3310435) has the molecular formula C15H11Br2FN2O2S and a molecular weight of 462.14 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
PubChem CID3310435
Molecular FormulaC15H11Br2FN2O2S
Molecular Weight462.14 g/mol
Exact Mass459.89
IUPAC Name2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C15H11Br2FN2O2S/c16-9-1-6-13(12(17)7-9)22-8-14(21)20-15(23)19-11-4-2-10(18)3-5-11/h1-7H,8H2,(H2,19,20,21,23)
InChIKeyIHLYEZCPHHWCJZ-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.14
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide 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

2-(2,4-dibromophenoxy)-N-[(3,5-dimethylphenyl)carbamothioyl]acetamide
CID 3313169
2-(2,4-dibromophenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
CID 3316791
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 3288534
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)carbamothioyl]acetamide
CID 3288695
2-(2,4-dibromophenoxy)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]acetamide
CID 3315210
2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 104704640
2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
CID 916660
2-(2,4-dibromophenoxy)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
CID 3313302
N-[4-[[[2-(2,4-dibromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide
CID 4505741
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 115918565
5-bromo-N-[(4-fluorophenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17051101
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-hydroxyphenyl)carbamothioyl]acetamide
CID 5120117

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide (CID 3310435) is 2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide is O=C(COc1ccc(Br)cc1Br)NC(=S)Nc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide?
The InChIKey is IHLYEZCPHHWCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FN2O2S/c16-9-1-6-13(12(17)7-9)22-8-14(21)20-15(23)19-11-4-2-10(18)3-5-11/h1-7H,8H2,(H2,19,20,21,23).
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide?
2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide has a molecular weight of 462.14 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide is sourced from PubChem (CID 3310435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).