3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide

C10H10ClN3O2S — CID 2768727

IUPAC3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide
SMILESCNC(=O)NC(=S)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3O2S/c1-12-9(16)14-10(17)13-8(15)6-3-2-4-7(11)5-6/h2-5H,1H3,(H3,12,13,14,15,16,17)
InChIKeyHIKRNWIULZDWNL-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.28
Rot. Bonds1

About 3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide

3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide (PubChem CID 2768727) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide
PubChem CID2768727
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide
SMILESCNC(=O)NC(=S)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3O2S/c1-12-9(16)14-10(17)13-8(15)6-3-2-4-7(11)5-6/h2-5H,1H3,(H3,12,13,14,15,16,17)
InChIKeyHIKRNWIULZDWNL-UHFFFAOYSA-N
XLogP1.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 2279775
3-chloro-N-(dimethylcarbamothioyl)benzamide
CID 2302012
3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide
CID 17161946
3-chloro-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
CID 881340
3-chloro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
CID 4635057
3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87471438
3-[(3-chlorobenzoyl)carbamothioylamino]-N,N-dimethylbenzamide
CID 17232103
3-chloro-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17204735
3-chloro-N-[(2-hydroxy-4-methylphenyl)carbamothioyl]benzamide
CID 884998
3-chloro-N-(3-oxobutanoyl)benzamide
CID 86030808
3-chloro-N-[(4-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 881307
3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931371

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide?
The IUPAC name of 3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide (CID 2768727) is 3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide.
What is the SMILES notation for 3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide?
The canonical SMILES for 3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide is CNC(=O)NC(=S)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide?
The InChIKey is HIKRNWIULZDWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-12-9(16)14-10(17)13-8(15)6-3-2-4-7(11)5-6/h2-5H,1H3,(H3,12,13,14,15,16,17).
What are the key properties of 3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide?
3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide has a molecular weight of 271.73 g/mol, XLogP of 1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide is sourced from PubChem (CID 2768727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).