4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide

C14H8Cl3FN2OS — CID 2281952

IUPAC4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H8Cl3FN2OS/c15-9-5-11(17)12(6-10(9)16)19-14(22)20-13(21)7-1-3-8(18)4-2-7/h1-6H,(H2,19,20,21,22)
InChIKeyMUDPKBWRTAPHOA-UHFFFAOYSA-N
MW377.66 g/mol
LogP4.91
Rot. Bonds2

About 4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide

4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide (PubChem CID 2281952) has the molecular formula C14H8Cl3FN2OS and a molecular weight of 377.66 g/mol. Its IUPAC name is 4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
PubChem CID2281952
Molecular FormulaC14H8Cl3FN2OS
Molecular Weight377.66 g/mol
Exact Mass375.94
IUPAC Name4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H8Cl3FN2OS/c15-9-5-11(17)12(6-10(9)16)19-14(22)20-13(21)7-1-3-8(18)4-2-7/h1-6H,(H2,19,20,21,22)
InChIKeyMUDPKBWRTAPHOA-UHFFFAOYSA-N
XLogP4.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.66
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]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-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide
CID 823889
N-[(2,4,5-trichlorophenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 17313864
N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-fluorobenzamide
CID 4510137
5-[(4-tert-butylbenzoyl)carbamothioylamino]-2,4-dichlorobenzoic acid
CID 28686974
2-[(4-fluorobenzoyl)carbamothioylamino]benzamide
CID 2245625
4-chloro-3-[(3,4-dichlorobenzoyl)carbamothioylamino]benzoic acid
CID 3793222
4-fluoro-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 881642
2-bromo-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 2278796
4-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]benzamide
CID 4673863
2-[(4-fluorobenzoyl)carbamothioylamino]benzoate
CID 7381171
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-fluorobenzamide
CID 924135
4-fluoro-N-(methylcarbamothioyl)benzamide
CID 4948510

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
The IUPAC name of 4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide (CID 2281952) is 4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
The InChIKey is MUDPKBWRTAPHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3FN2OS/c15-9-5-11(17)12(6-10(9)16)19-14(22)20-13(21)7-1-3-8(18)4-2-7/h1-6H,(H2,19,20,21,22).
What are the key properties of 4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide has a molecular weight of 377.66 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide is sourced from PubChem (CID 2281952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).