N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide

C14H10BrIN2O2S — CID 107789533

IUPACN-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
SMILESNC(=S)c1ccc(NC(=O)c2cc(I)ccc2O)c(Br)c1
InChIInChI=1S/C14H10BrIN2O2S/c15-10-5-7(13(17)21)1-3-11(10)18-14(20)9-6-8(16)2-4-12(9)19/h1-6,19H,(H2,17,21)(H,18,20)
InChIKeyNZIIQLGFAUDAFS-UHFFFAOYSA-N
MW477.12 g/mol
LogP3.65
Rot. Bonds3

About N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide

N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide (PubChem CID 107789533) has the molecular formula C14H10BrIN2O2S and a molecular weight of 477.12 g/mol. Its IUPAC name is N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
PubChem CID107789533
Molecular FormulaC14H10BrIN2O2S
Molecular Weight477.12 g/mol
Exact Mass475.87
IUPAC NameN-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
SMILESNC(=S)c1ccc(NC(=O)c2cc(I)ccc2O)c(Br)c1
InChIInChI=1S/C14H10BrIN2O2S/c15-10-5-7(13(17)21)1-3-11(10)18-14(20)9-6-8(16)2-4-12(9)19/h1-6,19H,(H2,17,21)(H,18,20)
InChIKeyNZIIQLGFAUDAFS-UHFFFAOYSA-N
XLogP3.65
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.12
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731512
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide
CID 107789542
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide
CID 107789911
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide
CID 107789633
N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731654
3-bromo-N-(2-bromo-4-carbamothioylphenyl)benzamide
CID 107789578
N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide
CID 107789965
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688
3-bromo-4-[(5-tert-butyl-2-hydroxybenzoyl)amino]benzoic acid
CID 86272699
N-(2-bromo-4-carbamothioylphenyl)propanamide
CID 107789663
N-(2-bromo-4-carbamothioylphenyl)-5-chlorothiophene-2-carboxamide
CID 107789645
N-(2-bromo-4-carbamothioylphenyl)-2-methoxypyridine-3-carboxamide
CID 107789815

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide (CID 107789533) is N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide is NC(=S)c1ccc(NC(=O)c2cc(I)ccc2O)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide?
The InChIKey is NZIIQLGFAUDAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIN2O2S/c15-10-5-7(13(17)21)1-3-11(10)18-14(20)9-6-8(16)2-4-12(9)19/h1-6,19H,(H2,17,21)(H,18,20).
What are the key properties of N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide?
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide has a molecular weight of 477.12 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107789533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).