N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide

C13H14Cl2N2OS — CID 62956929

IUPACN-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide
SMILESNC(=S)C1CCCC1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2OS/c14-8-4-2-5-9(15)11(8)13(18)17-10-6-1-3-7(10)12(16)19/h2,4-5,7,10H,1,3,6H2,(H2,16,19)(H,17,18)
InChIKeyRJOIMGYNYOONLR-UHFFFAOYSA-N
MW317.24 g/mol
LogP3.18
Rot. Bonds3

About N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide

N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide (PubChem CID 62956929) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide
PubChem CID62956929
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC NameN-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide
SMILESNC(=S)C1CCCC1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2OS/c14-8-4-2-5-9(15)11(8)13(18)17-10-6-1-3-7(10)12(16)19/h2,4-5,7,10H,1,3,6H2,(H2,16,19)(H,17,18)
InChIKeyRJOIMGYNYOONLR-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 53.18
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

N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide
CID 55151966
2-bromo-N-(2-carbamothioylcyclopentyl)-6-fluorobenzamide
CID 114559262
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide
CID 55152154
N-(2-carbamothioylcyclopentyl)-4-chloro-3-fluorobenzamide
CID 107987795
N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide
CID 62956397
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829545
N-(2-bromocyclohexyl)-2,6-dichlorobenzamide
CID 113275038
3-bromo-N-(2-carbamothioylcyclopentyl)-2-fluorobenzamide
CID 107951219
1-(2-carbamothioylcyclopentyl)-3-(3-chlorophenyl)urea
CID 55152530
2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106358522
2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813494

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide (CID 62956929) is N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide is NC(=S)C1CCCC1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide?
The InChIKey is RJOIMGYNYOONLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c14-8-4-2-5-9(15)11(8)13(18)17-10-6-1-3-7(10)12(16)19/h2,4-5,7,10H,1,3,6H2,(H2,16,19)(H,17,18).
What are the key properties of N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide?
N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide has a molecular weight of 317.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 62956929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).