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

C14H9Cl3N2OS — CID 1011353

IUPAC4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl3N2OS/c15-9-3-1-8(2-4-9)13(20)19-14(21)18-12-6-10(16)5-11(17)7-12/h1-7H,(H2,18,19,20,21)
InChIKeyAPDCURHWODLMDY-UHFFFAOYSA-N
MW359.67 g/mol
LogP4.77
Rot. Bonds2

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

4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide (PubChem CID 1011353) has the molecular formula C14H9Cl3N2OS and a molecular weight of 359.67 g/mol. Its IUPAC name is 4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
PubChem CID1011353
Molecular FormulaC14H9Cl3N2OS
Molecular Weight359.67 g/mol
Exact Mass357.95
IUPAC Name4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl3N2OS/c15-9-3-1-8(2-4-9)13(20)19-14(21)18-12-6-10(16)5-11(17)7-12/h1-7H,(H2,18,19,20,21)
InChIKeyAPDCURHWODLMDY-UHFFFAOYSA-N
XLogP4.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.67
LogP ≤ 54.77
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-[(3,5-dichlorophenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 2278928
3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 2279775
N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide
CID 4633339
4-tert-butyl-N-[[4-[(4-chlorobenzoyl)amino]phenyl]carbamothioyl]benzamide
CID 174979298
N-[(4-chlorophenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 918716
4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4627354
N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide
CID 702118
N-[(3,5-dichlorophenyl)carbamothioyl]-4-methyl-3-nitrobenzamide
CID 1337984
4-chloro-N-(methylcarbamothioyl)benzamide
CID 4948495
3,5-dichloro-4-[(4-chlorobenzoyl)carbamothioylamino]benzoic acid
CID 50849927
3-[(4-chlorobenzoyl)carbamothioylamino]-N,N-dimethylbenzamide
CID 17232054
N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3,5-dichlorobenzamide
CID 17232551

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide?
The IUPAC name of 4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide (CID 1011353) is 4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide?
The InChIKey is APDCURHWODLMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2OS/c15-9-3-1-8(2-4-9)13(20)19-14(21)18-12-6-10(16)5-11(17)7-12/h1-7H,(H2,18,19,20,21).
What are the key properties of 4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide?
4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide has a molecular weight of 359.67 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1011353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).