2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide

C14H8Cl3IN2OS — CID 2202064

IUPAC2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide
SMILESO=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cc(I)ccc1Cl
InChIInChI=1S/C14H8Cl3IN2OS/c15-7-1-4-12(11(17)5-7)19-14(22)20-13(21)9-6-8(18)2-3-10(9)16/h1-6H,(H2,19,20,21,22)
InChIKeyLIYPHCBNUWISEQ-UHFFFAOYSA-N
MW485.56 g/mol
LogP5.38
Rot. Bonds2

About 2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide

2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide (PubChem CID 2202064) has the molecular formula C14H8Cl3IN2OS and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide
PubChem CID2202064
Molecular FormulaC14H8Cl3IN2OS
Molecular Weight485.56 g/mol
Exact Mass483.85
IUPAC Name2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide
SMILESO=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cc(I)ccc1Cl
InChIInChI=1S/C14H8Cl3IN2OS/c15-7-1-4-12(11(17)5-7)19-14(22)20-13(21)9-6-8(18)2-3-10(9)16/h1-6H,(H2,19,20,21,22)
InChIKeyLIYPHCBNUWISEQ-UHFFFAOYSA-N
XLogP5.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
CID 4593422
5-bromo-2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
CID 3888641
2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
CID 1048232
5-chloro-2-[(2,5-dichlorobenzoyl)carbamothioylamino]benzoic acid
CID 3494401
N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide
CID 1305548
2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-5-iodobenzoic acid
CID 1018720
2-chloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
CID 22780153
2-chloro-5-iodo-N-[(5-iodo-2-pyridinyl)carbamothioyl]benzamide
CID 4504034
2,5-dichloro-N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]benzamide
CID 23097760
N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide
CID 1347270
2-chloro-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-5-iodobenzamide
CID 17317202
N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide
CID 823889

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide?
The IUPAC name of 2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide (CID 2202064) is 2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide.
What is the SMILES notation for 2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide?
The canonical SMILES for 2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide is O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cc(I)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide?
The InChIKey is LIYPHCBNUWISEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3IN2OS/c15-7-1-4-12(11(17)5-7)19-14(22)20-13(21)9-6-8(18)2-3-10(9)16/h1-6H,(H2,19,20,21,22).
What are the key properties of 2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide?
2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide has a molecular weight of 485.56 g/mol, XLogP of 5.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide is sourced from PubChem (CID 2202064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).