N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide

C14H9BrClIN2OS — CID 4263729

IUPACN-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide
SMILESO=C(NC(=S)Nc1ccc(Br)cc1I)c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrClIN2OS/c15-9-3-6-12(11(17)7-9)18-14(21)19-13(20)8-1-4-10(16)5-2-8/h1-7H,(H2,18,19,20,21)
InChIKeyPIXBQGSSWASOCM-UHFFFAOYSA-N
MW495.57 g/mol
LogP4.83
Rot. Bonds2

About N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide

N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide (PubChem CID 4263729) has the molecular formula C14H9BrClIN2OS and a molecular weight of 495.57 g/mol. Its IUPAC name is N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide
PubChem CID4263729
Molecular FormulaC14H9BrClIN2OS
Molecular Weight495.57 g/mol
Exact Mass493.84
IUPAC NameN-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide
SMILESO=C(NC(=S)Nc1ccc(Br)cc1I)c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrClIN2OS/c15-9-3-6-12(11(17)7-9)18-14(21)19-13(20)8-1-4-10(16)5-2-8/h1-7H,(H2,18,19,20,21)
InChIKeyPIXBQGSSWASOCM-UHFFFAOYSA-N
XLogP4.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 54.83
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

4-bromo-N-[(4-bromo-2-iodophenyl)carbamothioyl]benzamide
CID 4212705
4-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]benzamide
CID 4673863
N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-ethylbenzamide
CID 4000278
N-[(4-bromo-2-chlorophenyl)carbamothioyl]-4-iodobenzamide
CID 17115477
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
CID 1334183
N-[(4-bromo-2-iodophenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 4063907
N-[(4-bromo-2-iodophenyl)carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 3568567
N-[(4-bromo-2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 3322322
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693
4-bromo-3-[(4-bromobenzoyl)carbamothioylamino]benzoic acid
CID 91673572
4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 1011353

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide?
The IUPAC name of N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide (CID 4263729) is N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide.
What is the SMILES notation for N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide?
The canonical SMILES for N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide is O=C(NC(=S)Nc1ccc(Br)cc1I)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide?
The InChIKey is PIXBQGSSWASOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClIN2OS/c15-9-3-6-12(11(17)7-9)18-14(21)19-13(20)8-1-4-10(16)5-2-8/h1-7H,(H2,18,19,20,21).
What are the key properties of N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide?
N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide has a molecular weight of 495.57 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide is sourced from PubChem (CID 4263729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).