N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide

C15H11Cl2N3O2S — CID 87563673

IUPACN-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide
SMILESNC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H11Cl2N3O2S/c16-11-6-3-9(7-12(11)17)14(22)20-15(23)19-10-4-1-8(2-5-10)13(18)21/h1-7H,(H2,18,21)(H2,19,20,22,23)
InChIKeyXQLWQLUNKSUEAA-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.22
Rot. Bonds3

About N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide

N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide (PubChem CID 87563673) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide
PubChem CID87563673
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC NameN-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide
SMILESNC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H11Cl2N3O2S/c16-11-6-3-9(7-12(11)17)14(22)20-15(23)19-10-4-1-8(2-5-10)13(18)21/h1-7H,(H2,18,21)(H2,19,20,22,23)
InChIKeyXQLWQLUNKSUEAA-UHFFFAOYSA-N
XLogP3.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide 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

N-[(4-carbamoylphenyl)carbamothioyl]-3-chloro-4-methoxybenzamide;hydrochloride
CID 87563540
3,4-dichloro-N-[(3-phenylphenyl)carbamothioyl]benzamide
CID 91286283
N-[(4-carbamoylphenyl)carbamothioyl]-4-methylbenzamide
CID 909235
N-[(3,4-dichlorophenyl)carbamothioyl]-4-phenylbenzamide
CID 2209802
4-chloro-3-[(3,4-dichlorobenzoyl)carbamothioylamino]benzoic acid
CID 3793222
3-chloro-N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1139291
N-[(4-acetamidophenyl)carbamothioyl]-4-chloro-3-nitrobenzamide
CID 5153706
N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142636
N-[(4-acetamidophenyl)carbamothioyl]-3-chloro-4-ethoxybenzamide
CID 1338767
4-[2-(3,4-dichlorophenyl)sulfanylethylcarbamothioylamino]benzamide
CID 18416526
3,4-dichloro-N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 17110231
N-[(3,4-dichlorophenyl)carbamothioyl]-3,5-dinitrobenzamide
CID 3337452

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide (CID 87563673) is N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide is NC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide?
The InChIKey is XQLWQLUNKSUEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c16-11-6-3-9(7-12(11)17)14(22)20-15(23)19-10-4-1-8(2-5-10)13(18)21/h1-7H,(H2,18,21)(H2,19,20,22,23).
What are the key properties of N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide?
N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide has a molecular weight of 368.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)carbamothioyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 87563673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).