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

C15H11F3N2OS — CID 3410064

IUPACN-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H11F3N2OS/c16-15(17,18)11-8-4-5-9-12(11)19-14(22)20-13(21)10-6-2-1-3-7-10/h1-9H,(H2,19,20,21,22)
InChIKeyNROZYHTZQPNVSC-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.83
Rot. Bonds2

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

N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide (PubChem CID 3410064) has the molecular formula C15H11F3N2OS and a molecular weight of 324.33 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
PubChem CID3410064
Molecular FormulaC15H11F3N2OS
Molecular Weight324.33 g/mol
Exact Mass324.05
IUPAC NameN-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H11F3N2OS/c16-15(17,18)11-8-4-5-9-12(11)19-14(22)20-13(21)10-6-2-1-3-7-10/h1-9H,(H2,19,20,21,22)
InChIKeyNROZYHTZQPNVSC-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 881642
4-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 880639
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1242400
3,4,5-triethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1337775
2-bromo-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1048167
1-(2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17255689
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17100502
3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1343003
1-carbamothioyl-3-[2-(trifluoromethyl)phenyl]urea
CID 134125791
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
3-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 174707258

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide (CID 3410064) is N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide is O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
The InChIKey is NROZYHTZQPNVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2OS/c16-15(17,18)11-8-4-5-9-12(11)19-14(22)20-13(21)10-6-2-1-3-7-10/h1-9H,(H2,19,20,21,22).
What are the key properties of N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide has a molecular weight of 324.33 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 3410064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).