3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide

C14H9Br2FN2OS — CID 107972262

IUPAC3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide
SMILESNC(=S)c1ccc(NC(=O)c2cc(Br)cc(Br)c2)c(F)c1
InChIInChI=1S/C14H9Br2FN2OS/c15-9-3-8(4-10(16)6-9)14(20)19-12-2-1-7(13(18)21)5-11(12)17/h1-6H,(H2,18,21)(H,19,20)
InChIKeyQYUYMRDMZCPRLL-UHFFFAOYSA-N
MW432.11 g/mol
LogP4.24
Rot. Bonds3

About 3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide

3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide (PubChem CID 107972262) has the molecular formula C14H9Br2FN2OS and a molecular weight of 432.11 g/mol. Its IUPAC name is 3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide
PubChem CID107972262
Molecular FormulaC14H9Br2FN2OS
Molecular Weight432.11 g/mol
Exact Mass429.88
IUPAC Name3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide
SMILESNC(=S)c1ccc(NC(=O)c2cc(Br)cc(Br)c2)c(F)c1
InChIInChI=1S/C14H9Br2FN2OS/c15-9-3-8(4-10(16)6-9)14(20)19-12-2-1-7(13(18)21)5-11(12)17/h1-6H,(H2,18,21)(H,19,20)
InChIKeyQYUYMRDMZCPRLL-UHFFFAOYSA-N
XLogP4.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.11
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide 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

3-bromo-N-(4-carbamothioyl-2-chlorophenyl)-5-fluorobenzamide
CID 107808488
2-bromo-N-(4-carbamothioyl-2-fluorophenyl)-6-fluorobenzamide
CID 114559284
N-(4-carbamothioyl-2-fluorophenyl)-3-chloro-4-iodobenzamide
CID 103220815
3-bromo-N-(2-bromo-4-carbamothioylphenyl)benzamide
CID 107789578
3-bromo-N-(5-carbamothioyl-2-methylphenyl)-5-chlorobenzamide
CID 107938969
4-(2,4-dibromoanilino)-3-fluorobenzenecarbothioamide
CID 63519945
3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 104853246
4-(3-bromo-5-methylanilino)-3-fluorobenzenecarbothioamide
CID 107583698
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64787655
3-fluoro-4-(methylamino)benzenecarbothioamide
CID 43657682
4-(2,5-dibromoanilino)-3-fluorobenzenecarbothioamide
CID 63519420
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide (CID 107972262) is 3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide is NC(=S)c1ccc(NC(=O)c2cc(Br)cc(Br)c2)c(F)c1.
What is the InChIKey of 3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide?
The InChIKey is QYUYMRDMZCPRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FN2OS/c15-9-3-8(4-10(16)6-9)14(20)19-12-2-1-7(13(18)21)5-11(12)17/h1-6H,(H2,18,21)(H,19,20).
What are the key properties of 3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide?
3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide has a molecular weight of 432.11 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(4-carbamothioyl-2-fluorophenyl)benzamide is sourced from PubChem (CID 107972262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).