4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide

C13H14BrClN2OS — CID 61118936

IUPAC4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide
SMILESNC(=S)C1(NC(=O)c2ccc(Br)cc2Cl)CCCC1
InChIInChI=1S/C13H14BrClN2OS/c14-8-3-4-9(10(15)7-8)11(18)17-13(12(16)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,16,19)(H,17,18)
InChIKeyINJHFBOGXNUNTB-UHFFFAOYSA-N
MW361.69 g/mol
LogP3.43
Rot. Bonds3

About 4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide

4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide (PubChem CID 61118936) has the molecular formula C13H14BrClN2OS and a molecular weight of 361.69 g/mol. Its IUPAC name is 4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide
PubChem CID61118936
Molecular FormulaC13H14BrClN2OS
Molecular Weight361.69 g/mol
Exact Mass359.97
IUPAC Name4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide
SMILESNC(=S)C1(NC(=O)c2ccc(Br)cc2Cl)CCCC1
InChIInChI=1S/C13H14BrClN2OS/c14-8-3-4-9(10(15)7-8)11(18)17-13(12(16)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,16,19)(H,17,18)
InChIKeyINJHFBOGXNUNTB-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.69
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide 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

3-bromo-N-(1-carbamothioylcycloheptyl)-4-chlorobenzamide
CID 107999041
3-bromo-N-(1-carbamothioylcyclohexyl)-4-chlorobenzamide
CID 107999039
N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
CID 61119919
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide
CID 106861279
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide
CID 107722057
N-(1-carbamothioylcyclohexyl)-4-chloro-2,5-difluorobenzamide
CID 82772161
N-(1-carbamothioylcyclopentyl)-2,3,4-trifluorobenzamide
CID 79749223
N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
CID 61118938
N-(1-carbamothioylcycloheptyl)-3-chloro-4-hydroxybenzamide
CID 61119183
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946
3-bromo-N-(1-carbamothioylcycloheptyl)-4-methylbenzamide
CID 81457319

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide?
The IUPAC name of 4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide (CID 61118936) is 4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide?
The canonical SMILES for 4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide is NC(=S)C1(NC(=O)c2ccc(Br)cc2Cl)CCCC1.
What is the InChIKey of 4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide?
The InChIKey is INJHFBOGXNUNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2OS/c14-8-3-4-9(10(15)7-8)11(18)17-13(12(16)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,16,19)(H,17,18).
What are the key properties of 4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide?
4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide has a molecular weight of 361.69 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide is sourced from PubChem (CID 61118936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).