2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide

C14H10BrFN2OS — CID 82015339

IUPAC2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide
SMILESNC(=S)c1cc(F)ccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C14H10BrFN2OS/c15-11-4-2-1-3-9(11)14(19)18-12-6-5-8(16)7-10(12)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyDRGSHYCGECLQML-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.47
Rot. Bonds3

About 2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide

2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide (PubChem CID 82015339) has the molecular formula C14H10BrFN2OS and a molecular weight of 353.22 g/mol. Its IUPAC name is 2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide
PubChem CID82015339
Molecular FormulaC14H10BrFN2OS
Molecular Weight353.22 g/mol
Exact Mass351.97
IUPAC Name2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide
SMILESNC(=S)c1cc(F)ccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C14H10BrFN2OS/c15-11-4-2-1-3-9(11)14(19)18-12-6-5-8(16)7-10(12)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyDRGSHYCGECLQML-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-carbamothioyl-4-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

N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide
CID 82016442
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)-5-methylbenzamide
CID 82683771
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)-6-fluorobenzamide
CID 114559285
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
5-bromo-N-(2-carbamothioyl-4-fluorophenyl)thiophene-2-carboxamide
CID 82015439
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid
CID 16773060
2-bromo-N-(3-carbamothioyl-4-fluorophenyl)benzamide
CID 62318065
2,5-dibromo-N-(2-carbamothioylphenyl)benzamide
CID 114369521
N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 82683459
N-(2-carbamothioyl-4-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82870456
2-bromo-N-(2-carbamothioyl-3-fluorophenyl)-4-fluorobenzamide
CID 43580960

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide?
The IUPAC name of 2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide (CID 82015339) is 2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide is NC(=S)c1cc(F)ccc1NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide?
The InChIKey is DRGSHYCGECLQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2OS/c15-11-4-2-1-3-9(11)14(19)18-12-6-5-8(16)7-10(12)13(17)20/h1-7H,(H2,17,20)(H,18,19).
What are the key properties of 2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide?
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide has a molecular weight of 353.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide is sourced from PubChem (CID 82015339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).