N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide

C15H10ClF3N2OS — CID 17100502

IUPACN-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C15H10ClF3N2OS/c16-11-8-10(15(17,18)19)6-7-12(11)20-14(23)21-13(22)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22,23)
InChIKeyUIBQVCBUJZMTLU-UHFFFAOYSA-N
MW358.77 g/mol
LogP4.49
Rot. Bonds2

About N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide

N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide (PubChem CID 17100502) has the molecular formula C15H10ClF3N2OS and a molecular weight of 358.77 g/mol. Its IUPAC name is N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide
PubChem CID17100502
Molecular FormulaC15H10ClF3N2OS
Molecular Weight358.77 g/mol
Exact Mass358.02
IUPAC NameN-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C15H10ClF3N2OS/c16-11-8-10(15(17,18)19)6-7-12(11)20-14(23)21-13(22)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22,23)
InChIKeyUIBQVCBUJZMTLU-UHFFFAOYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.77
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-chloro-4-(trifluoromethyl)phenyl]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-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 22775388
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17104896
N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 3410064
N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide
CID 21314050
3-(benzoylcarbamothioylamino)-4,5-dichlorobenzoic acid
CID 91688333
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]-2,4-dimethoxybenzamide
CID 17335722
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide
CID 22776906
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide
CID 1335728
(E)-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 17104886
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
N-[(4-amino-2-chlorophenyl)carbamothioyl]-4-tert-butylbenzamide
CID 53371643
4-(benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid
CID 50850018

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
The IUPAC name of N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide (CID 17100502) is N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1.
What is the InChIKey of N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
The InChIKey is UIBQVCBUJZMTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2OS/c16-11-8-10(15(17,18)19)6-7-12(11)20-14(23)21-13(22)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22,23).
What are the key properties of N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide has a molecular weight of 358.77 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 17100502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).