N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide

C21H17FN2OS — CID 2344017

IUPACN-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide
SMILESO=C(NC(=S)Nc1ccccc1Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2OS/c22-18-12-10-16(11-13-18)20(25)24-21(26)23-19-9-5-4-8-17(19)14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24,25,26)
InChIKeyLGNUMYGJCGGHDW-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.54
Rot. Bonds4

About N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide

N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide (PubChem CID 2344017) has the molecular formula C21H17FN2OS and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide
PubChem CID2344017
Molecular FormulaC21H17FN2OS
Molecular Weight364.45 g/mol
Exact Mass364.10
IUPAC NameN-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide
SMILESO=C(NC(=S)Nc1ccccc1Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2OS/c22-18-12-10-16(11-13-18)20(25)24-21(26)23-19-9-5-4-8-17(19)14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24,25,26)
InChIKeyLGNUMYGJCGGHDW-UHFFFAOYSA-N
XLogP4.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-benzylphenyl)carbamothioyl]-4-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

4-fluoro-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 881642
2-[(4-fluorobenzoyl)carbamothioylamino]benzamide
CID 2245625
2-[(4-fluorobenzoyl)carbamothioylamino]benzoate
CID 7381171
N-[(benzylcarbamothioylamino)carbamothioyl]-4-fluorobenzamide
CID 142756981
2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17150463
2-(benzoylcarbamothioylamino)-N-benzylbenzamide
CID 4930615
4-fluoro-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067103
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3884706
N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 3410064
4-fluoro-N-(methylcarbamothioyl)benzamide
CID 4948510
N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide
CID 4929080

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide?
The IUPAC name of N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide (CID 2344017) is N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide?
The canonical SMILES for N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide is O=C(NC(=S)Nc1ccccc1Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide?
The InChIKey is LGNUMYGJCGGHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2OS/c22-18-12-10-16(11-13-18)20(25)24-21(26)23-19-9-5-4-8-17(19)14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24,25,26).
What are the key properties of N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide?
N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide has a molecular weight of 364.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzylphenyl)carbamothioyl]-4-fluorobenzamide is sourced from PubChem (CID 2344017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).