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

C14H9Cl3N2OS — CID 2279775

IUPAC3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H9Cl3N2OS/c15-9-3-1-2-8(4-9)13(20)19-14(21)18-12-6-10(16)5-11(17)7-12/h1-7H,(H2,18,19,20,21)
InChIKeyRSHSXMAXCARJQE-UHFFFAOYSA-N
MW359.67 g/mol
LogP4.77
Rot. Bonds2

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

3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide (PubChem CID 2279775) has the molecular formula C14H9Cl3N2OS and a molecular weight of 359.67 g/mol. Its IUPAC name is 3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
PubChem CID2279775
Molecular FormulaC14H9Cl3N2OS
Molecular Weight359.67 g/mol
Exact Mass357.95
IUPAC Name3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H9Cl3N2OS/c15-9-3-1-2-8(4-9)13(20)19-14(21)18-12-6-10(16)5-11(17)7-12/h1-7H,(H2,18,19,20,21)
InChIKeyRSHSXMAXCARJQE-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

3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87471438
4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 1011353
3-chloro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
CID 4635057
3-[(3-chlorobenzoyl)carbamothioylamino]-N,N-dimethylbenzamide
CID 17232103
3-chloro-N-[4-[(4-fluorobenzoyl)carbamothioylamino]phenyl]benzamide
CID 4629756
3-chloro-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17204735
N-[(3,5-dichlorophenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 2278928
N-[[3-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-3,4-dimethylbenzamide
CID 4578829
N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140531
3-chloro-N-(1H-indol-6-ylcarbamothioyl)benzamide
CID 87472107
N-[(3-chlorophenyl)carbamothioyl]-3,5-dimethoxybenzamide
CID 1344751
N-[(3-chlorophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 883458

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide?
The IUPAC name of 3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide (CID 2279775) is 3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide?
The InChIKey is RSHSXMAXCARJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2OS/c15-9-3-1-2-8(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 3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide?
3-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 3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide is sourced from PubChem (CID 2279775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).