4-chloro-N-(cyclohexylcarbamothioyl)benzamide

C14H17ClN2OS — CID 920445

IUPAC4-chloro-N-(cyclohexylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS/c15-11-8-6-10(7-9-11)13(18)17-14(19)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,16,17,18,19)
InChIKeyYKZILFIZUSNMFV-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.28
Rot. Bonds2

About 4-chloro-N-(cyclohexylcarbamothioyl)benzamide

4-chloro-N-(cyclohexylcarbamothioyl)benzamide (PubChem CID 920445) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 4-chloro-N-(cyclohexylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(cyclohexylcarbamothioyl)benzamide
PubChem CID920445
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name4-chloro-N-(cyclohexylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS/c15-11-8-6-10(7-9-11)13(18)17-14(19)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,16,17,18,19)
InChIKeyYKZILFIZUSNMFV-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclohexylcarbamothioyl)benzamide?
The IUPAC name of 4-chloro-N-(cyclohexylcarbamothioyl)benzamide (CID 920445) is 4-chloro-N-(cyclohexylcarbamothioyl)benzamide.
What is the SMILES notation for 4-chloro-N-(cyclohexylcarbamothioyl)benzamide?
The canonical SMILES for 4-chloro-N-(cyclohexylcarbamothioyl)benzamide is O=C(NC(=S)NC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(cyclohexylcarbamothioyl)benzamide?
The InChIKey is YKZILFIZUSNMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c15-11-8-6-10(7-9-11)13(18)17-14(19)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,16,17,18,19).
What are the key properties of 4-chloro-N-(cyclohexylcarbamothioyl)benzamide?
4-chloro-N-(cyclohexylcarbamothioyl)benzamide has a molecular weight of 296.82 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclohexylcarbamothioyl)benzamide is sourced from PubChem (CID 920445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).