4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide

C15H12ClIN2OS — CID 1334183

IUPAC4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
SMILESCc1cc(I)ccc1NC(=S)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClIN2OS/c1-9-8-12(17)6-7-13(9)18-15(21)19-14(20)10-2-4-11(16)5-3-10/h2-8H,1H3,(H2,18,19,20,21)
InChIKeyWSRDNPIZOMNDJK-UHFFFAOYSA-N
MW430.70 g/mol
LogP4.38
Rot. Bonds2

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

4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide (PubChem CID 1334183) has the molecular formula C15H12ClIN2OS and a molecular weight of 430.70 g/mol. Its IUPAC name is 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
PubChem CID1334183
Molecular FormulaC15H12ClIN2OS
Molecular Weight430.70 g/mol
Exact Mass429.94
IUPAC Name4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
SMILESCc1cc(I)ccc1NC(=S)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClIN2OS/c1-9-8-12(17)6-7-13(9)18-15(21)19-14(20)10-2-4-11(16)5-3-10/h2-8H,1H3,(H2,18,19,20,21)
InChIKeyWSRDNPIZOMNDJK-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.70
LogP ≤ 54.38
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
3-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-4-methoxybenzamide
CID 1317505
N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 1048178
4-chloro-N-[(2,5-dimethylphenyl)carbamothioyl]benzamide
CID 875189
N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide
CID 4263729
N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-iodobenzamide
CID 17115404
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
CID 17104780
5-iodo-2-[(4-iodobenzoyl)carbamothioylamino]benzoic acid
CID 5179927
N-[(4-bromo-2-chlorophenyl)carbamothioyl]-4-iodobenzamide
CID 17115477
2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide
CID 2202064
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide?
The IUPAC name of 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide (CID 1334183) is 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide is Cc1cc(I)ccc1NC(=S)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide?
The InChIKey is WSRDNPIZOMNDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN2OS/c1-9-8-12(17)6-7-13(9)18-15(21)19-14(20)10-2-4-11(16)5-3-10/h2-8H,1H3,(H2,18,19,20,21).
What are the key properties of 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide?
4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide has a molecular weight of 430.70 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1334183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).