3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide

C14H8Cl2FIN2OS — CID 17104780

IUPAC3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(I)cc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2FIN2OS/c15-9-3-1-7(5-10(9)16)13(21)20-14(22)19-12-4-2-8(18)6-11(12)17/h1-6H,(H2,19,20,21,22)
InChIKeyOOMAXNBIRONNJM-UHFFFAOYSA-N
MW469.11 g/mol
LogP4.86
Rot. Bonds2

About 3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide

3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide (PubChem CID 17104780) has the molecular formula C14H8Cl2FIN2OS and a molecular weight of 469.11 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
PubChem CID17104780
Molecular FormulaC14H8Cl2FIN2OS
Molecular Weight469.11 g/mol
Exact Mass467.88
IUPAC Name3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(I)cc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2FIN2OS/c15-9-3-1-7(5-10(9)16)13(21)20-14(22)19-12-4-2-8(18)6-11(12)17/h1-6H,(H2,19,20,21,22)
InChIKeyOOMAXNBIRONNJM-UHFFFAOYSA-N
XLogP4.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.11
LogP ≤ 54.86
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-fluoro-4-iodophenyl)carbamothioyl]benzamide
CID 22780153
3,4-dichloro-N-[(5-iodo-2-pyridinyl)carbamothioyl]benzamide
CID 4504032
N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide
CID 17100462
N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 1048178
4-chloro-3-[(3,4-dichlorobenzoyl)carbamothioylamino]benzoic acid
CID 3793222
4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
CID 1334183
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
3-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]-4-methoxybenzamide
CID 1317505
2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide
CID 2202064
N-[(4-bromo-2-chlorophenyl)carbamothioyl]-4-iodobenzamide
CID 17115477
N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide
CID 823889
4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 2281952

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide (CID 17104780) is 3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(I)cc1F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide?
The InChIKey is OOMAXNBIRONNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FIN2OS/c15-9-3-1-7(5-10(9)16)13(21)20-14(22)19-12-4-2-8(18)6-11(12)17/h1-6H,(H2,19,20,21,22).
What are the key properties of 3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide?
3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide has a molecular weight of 469.11 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17104780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).