2,5-dibromo-N-(2-carbamothioylphenyl)benzamide

C14H10Br2N2OS — CID 114369521

IUPAC2,5-dibromo-N-(2-carbamothioylphenyl)benzamide
SMILESNC(=S)c1ccccc1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br2N2OS/c15-8-5-6-11(16)10(7-8)14(19)18-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyQGMZKWSDELJPNG-UHFFFAOYSA-N
MW414.12 g/mol
LogP4.10
Rot. Bonds3

About 2,5-dibromo-N-(2-carbamothioylphenyl)benzamide

2,5-dibromo-N-(2-carbamothioylphenyl)benzamide (PubChem CID 114369521) has the molecular formula C14H10Br2N2OS and a molecular weight of 414.12 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-carbamothioylphenyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-carbamothioylphenyl)benzamide
PubChem CID114369521
Molecular FormulaC14H10Br2N2OS
Molecular Weight414.12 g/mol
Exact Mass411.89
IUPAC Name2,5-dibromo-N-(2-carbamothioylphenyl)benzamide
SMILESNC(=S)c1ccccc1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br2N2OS/c15-8-5-6-11(16)10(7-8)14(19)18-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyQGMZKWSDELJPNG-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
CID 43378988
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
N-(4-bromo-2-carbamothioylphenyl)benzamide
CID 82703506
N-(5-bromo-2-carbamothioylphenyl)-2-fluorobenzamide
CID 107798721
5-bromo-N-(2-carbamoylphenyl)-2-methylbenzamide
CID 65311671
N-(2-carbamothioylphenyl)-2-hydroxybenzamide
CID 24692803
5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide
CID 107798660
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide
CID 82015339
N-(5-bromo-2-carbamothioylphenyl)-2-methylsulfanylbenzamide
CID 107798777
3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide
CID 82703358
N-(4-bromo-2-carbamothioylphenyl)-2-methoxypyridine-3-carboxamide
CID 82695069
2-[(2,5-dibromophenyl)sulfonylamino]benzenecarbothioamide
CID 28880730

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-carbamothioylphenyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2-carbamothioylphenyl)benzamide (CID 114369521) is 2,5-dibromo-N-(2-carbamothioylphenyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2-carbamothioylphenyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2-carbamothioylphenyl)benzamide is NC(=S)c1ccccc1NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-carbamothioylphenyl)benzamide?
The InChIKey is QGMZKWSDELJPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2OS/c15-8-5-6-11(16)10(7-8)14(19)18-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H,18,19).
What are the key properties of 2,5-dibromo-N-(2-carbamothioylphenyl)benzamide?
2,5-dibromo-N-(2-carbamothioylphenyl)benzamide has a molecular weight of 414.12 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-carbamothioylphenyl)benzamide is sourced from PubChem (CID 114369521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).