N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide

C14H10ClFN2OS — CID 82016442

IUPACN-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide
SMILESNC(=S)c1cc(F)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C14H10ClFN2OS/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)
InChIKeyWHUJSTZNSWPATG-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.37
Rot. Bonds3

About N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide

N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide (PubChem CID 82016442) has the molecular formula C14H10ClFN2OS and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide
PubChem CID82016442
Molecular FormulaC14H10ClFN2OS
Molecular Weight308.77 g/mol
Exact Mass308.02
IUPAC NameN-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide
SMILESNC(=S)c1cc(F)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C14H10ClFN2OS/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)
InChIKeyWHUJSTZNSWPATG-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.37
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

2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide
CID 82015339
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide
CID 82683921
N-(2-carbamothioyl-4-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82870456
N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 82683459
N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide
CID 28538198
N-(2-carbamothioyl-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 82016550
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)pyridazine-4-carboxamide
CID 104670517
2-[1-(2-chlorophenyl)ethylamino]-5-fluorobenzenecarbothioamide
CID 63673035
N-(2-amino-4-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81265128

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide?
The IUPAC name of N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide (CID 82016442) is N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide.
What is the SMILES notation for N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide?
The canonical SMILES for N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide is NC(=S)c1cc(F)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide?
The InChIKey is WHUJSTZNSWPATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2OS/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 N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide?
N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide has a molecular weight of 308.77 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide is sourced from PubChem (CID 82016442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).