2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide

C14H9Cl2IN2OS — CID 1048232

IUPAC2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(I)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H9Cl2IN2OS/c15-10-4-2-1-3-9(10)13(20)19-14(21)18-12-6-5-8(17)7-11(12)16/h1-7H,(H2,18,19,20,21)
InChIKeyCXDJDEPIEHJTBP-UHFFFAOYSA-N
MW451.12 g/mol
LogP4.72
Rot. Bonds2

About 2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide

2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide (PubChem CID 1048232) has the molecular formula C14H9Cl2IN2OS and a molecular weight of 451.12 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
PubChem CID1048232
Molecular FormulaC14H9Cl2IN2OS
Molecular Weight451.12 g/mol
Exact Mass449.89
IUPAC Name2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(I)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H9Cl2IN2OS/c15-10-4-2-1-3-9(10)13(20)19-14(21)18-12-6-5-8(17)7-11(12)16/h1-7H,(H2,18,19,20,21)
InChIKeyCXDJDEPIEHJTBP-UHFFFAOYSA-N
XLogP4.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.12
LogP ≤ 54.72
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'}

Analyze 2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide 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

2-chloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
CID 22780153
2-chloro-N-[(2-ethyl-4-iodophenyl)carbamothioyl]benzamide
CID 1395361
2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide
CID 2202064
5-bromo-2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
CID 3888641
N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide
CID 1347270
N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide
CID 1305548
N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 1048178
2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 4942210
2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
CID 4593422
N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide
CID 1370762
N-[(4-bromo-2-chlorophenyl)carbamothioyl]-4-iodobenzamide
CID 17115477
2-bromo-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 2278796

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide?
The IUPAC name of 2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide (CID 1048232) is 2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(I)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide?
The InChIKey is CXDJDEPIEHJTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2IN2OS/c15-10-4-2-1-3-9(10)13(20)19-14(21)18-12-6-5-8(17)7-11(12)16/h1-7H,(H2,18,19,20,21).
What are the key properties of 2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide?
2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide has a molecular weight of 451.12 g/mol, XLogP of 4.72, 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-chloro-4-iodophenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1048232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).