N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide

C14H10Cl2N2OS — CID 29040184

IUPACN-(3-carbamothioylphenyl)-2,6-dichlorobenzamide
SMILESNC(=S)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H10Cl2N2OS/c15-10-5-2-6-11(16)12(10)14(19)18-9-4-1-3-8(7-9)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyDLLROBRRELHLNG-UHFFFAOYSA-N
MW325.22 g/mol
LogP3.88
Rot. Bonds3

About N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide

N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide (PubChem CID 29040184) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2,6-dichlorobenzamide
PubChem CID29040184
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC NameN-(3-carbamothioylphenyl)-2,6-dichlorobenzamide
SMILESNC(=S)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H10Cl2N2OS/c15-10-5-2-6-11(16)12(10)14(19)18-9-4-1-3-8(7-9)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyDLLROBRRELHLNG-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 53.88
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

3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391
N-(3-carbamothioylphenyl)-3-chloro-4-methylbenzamide
CID 63195318
N-(3-carbamothioylphenyl)-4-hydroxybenzamide
CID 24695389
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336
N-(3-carbamothioylphenyl)-3,4-dihydroxybenzamide
CID 107728355
3-carbamothioyl-N-(3-iodophenyl)benzamide
CID 28977640
3-(2-carbamothioyl-3-chloroanilino)benzamide
CID 107811431
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
N-(3-carbamothioylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742889
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
N-(3-carbamothioylphenyl)-1-methylimidazole-4-carboxamide
CID 107972144

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide (CID 29040184) is N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide is NC(=S)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide?
The InChIKey is DLLROBRRELHLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c15-10-5-2-6-11(16)12(10)14(19)18-9-4-1-3-8(7-9)13(17)20/h1-7H,(H2,17,20)(H,18,19).
What are the key properties of N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide?
N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide has a molecular weight of 325.22 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 29040184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).