3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide

C15H11Cl3N2OS — CID 17133786

IUPAC3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1Cl
InChIInChI=1S/C15H11Cl3N2OS/c1-8-2-3-12(7-13(8)18)19-15(22)20-14(21)9-4-10(16)6-11(17)5-9/h2-7H,1H3,(H2,19,20,21,22)
InChIKeyUGCYXWXHCAJVAQ-UHFFFAOYSA-N
MW373.69 g/mol
LogP5.08
Rot. Bonds2

About 3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide

3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide (PubChem CID 17133786) has the molecular formula C15H11Cl3N2OS and a molecular weight of 373.69 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide
PubChem CID17133786
Molecular FormulaC15H11Cl3N2OS
Molecular Weight373.69 g/mol
Exact Mass371.97
IUPAC Name3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1Cl
InChIInChI=1S/C15H11Cl3N2OS/c1-8-2-3-12(7-13(8)18)19-15(22)20-14(21)9-4-10(16)6-11(17)5-9/h2-7H,1H3,(H2,19,20,21,22)
InChIKeyUGCYXWXHCAJVAQ-UHFFFAOYSA-N
XLogP5.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.69
LogP ≤ 55.08
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-[(3-chloro-4-methylphenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 918711
methyl 4-[(3-chloro-4-methylphenyl)carbamothioylcarbamoyl]benzoate
CID 17178527
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-phenylbenzamide
CID 2209632
N-[(3-chloro-4-methylphenyl)carbamothioyl]-3-iodobenzamide
CID 4598718
N-[(3,5-dichlorophenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 2278928
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-methyl-3-nitrobenzamide
CID 1339283
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 918687
N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-3-chloro-4-methylbenzamide
CID 5090006
4-butoxy-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide
CID 2292033
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 815869
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953049
2-chloro-5-[(3,5-dimethylbenzoyl)carbamothioylamino]benzoic acid
CID 28687379

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide (CID 17133786) is 3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide is Cc1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide?
The InChIKey is UGCYXWXHCAJVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2OS/c1-8-2-3-12(7-13(8)18)19-15(22)20-14(21)9-4-10(16)6-11(17)5-9/h2-7H,1H3,(H2,19,20,21,22).
What are the key properties of 3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide?
3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide has a molecular weight of 373.69 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17133786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).