2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide

C15H11Cl2IN2OS — CID 4593422

IUPAC2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
SMILESCc1cc(I)ccc1NC(=S)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2IN2OS/c1-8-6-10(18)3-5-13(8)19-15(22)20-14(21)11-7-9(16)2-4-12(11)17/h2-7H,1H3,(H2,19,20,21,22)
InChIKeyUZEBATWCLFLJIA-UHFFFAOYSA-N
MW465.14 g/mol
LogP5.03
Rot. Bonds2

About 2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide

2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide (PubChem CID 4593422) has the molecular formula C15H11Cl2IN2OS and a molecular weight of 465.14 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
PubChem CID4593422
Molecular FormulaC15H11Cl2IN2OS
Molecular Weight465.14 g/mol
Exact Mass463.90
IUPAC Name2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
SMILESCc1cc(I)ccc1NC(=S)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2IN2OS/c1-8-6-10(18)3-5-13(8)19-15(22)20-14(21)11-7-9(16)2-4-12(11)17/h2-7H,1H3,(H2,19,20,21,22)
InChIKeyUZEBATWCLFLJIA-UHFFFAOYSA-N
XLogP5.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.14
LogP ≤ 55.03
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-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide
CID 2202064
2,5-dichloro-N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]benzamide
CID 23097760
4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
CID 1334183
5-chloro-2-[(2,5-dichlorobenzoyl)carbamothioylamino]benzoic acid
CID 3494401
2-(2,4-dichlorophenoxy)-N-[(4-iodo-2-methylphenyl)carbamothioyl]propanamide
CID 3980932
2-chloro-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-5-iodobenzamide
CID 17115403
3-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-4-methoxybenzamide
CID 1317505
5-bromo-2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
CID 3888641
2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
CID 1048232
N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187838
2-chloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
CID 22780153
N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide
CID 1305548

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide (CID 4593422) is 2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide is Cc1cc(I)ccc1NC(=S)NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide?
The InChIKey is UZEBATWCLFLJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2IN2OS/c1-8-6-10(18)3-5-13(8)19-15(22)20-14(21)11-7-9(16)2-4-12(11)17/h2-7H,1H3,(H2,19,20,21,22).
What are the key properties of 2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide?
2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide has a molecular weight of 465.14 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 4593422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).