5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide

C15H12BrFN2OS — CID 107805652

IUPAC5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide
SMILESCc1cccc(NC(=O)c2cc(Br)ccc2F)c1C(N)=S
InChIInChI=1S/C15H12BrFN2OS/c1-8-3-2-4-12(13(8)14(18)21)19-15(20)10-7-9(16)5-6-11(10)17/h2-7H,1H3,(H2,18,21)(H,19,20)
InChIKeyNEJVXZLUWHQYCU-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.78
Rot. Bonds3

About 5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide

5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide (PubChem CID 107805652) has the molecular formula C15H12BrFN2OS and a molecular weight of 367.24 g/mol. Its IUPAC name is 5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide
PubChem CID107805652
Molecular FormulaC15H12BrFN2OS
Molecular Weight367.24 g/mol
Exact Mass365.98
IUPAC Name5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide
SMILESCc1cccc(NC(=O)c2cc(Br)ccc2F)c1C(N)=S
InChIInChI=1S/C15H12BrFN2OS/c1-8-3-2-4-12(13(8)14(18)21)19-15(20)10-7-9(16)5-6-11(10)17/h2-7H,1H3,(H2,18,21)(H,19,20)
InChIKeyNEJVXZLUWHQYCU-UHFFFAOYSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide 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

N-(2-carbamothioyl-3-methylphenyl)-2,5-difluorobenzamide
CID 107805515
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
CID 107805746
N-(4-bromo-2-carbamothioylphenyl)-2-fluoro-5-methylbenzamide
CID 82695396
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 107805517
N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 107805792
N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide
CID 63048603
N-(2-acetylphenyl)-5-bromo-2-fluorobenzamide
CID 24711733
(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(5-bromo-2-carbamothioylphenyl)-2,5-difluorobenzamide
CID 107798592
N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide (CID 107805652) is 5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide is Cc1cccc(NC(=O)c2cc(Br)ccc2F)c1C(N)=S.
What is the InChIKey of 5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide?
The InChIKey is NEJVXZLUWHQYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2OS/c1-8-3-2-4-12(13(8)14(18)21)19-15(20)10-7-9(16)5-6-11(10)17/h2-7H,1H3,(H2,18,21)(H,19,20).
What are the key properties of 5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide?
5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide has a molecular weight of 367.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 107805652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).