3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide

C14H10Br2N2OS — CID 82703358

IUPAC3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide
SMILESNC(=S)c1cc(Br)ccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H10Br2N2OS/c15-9-3-1-2-8(6-9)14(19)18-12-5-4-10(16)7-11(12)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyJIUKEXYOTCQOTK-UHFFFAOYSA-N
MW414.12 g/mol
LogP4.10
Rot. Bonds3

About 3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide

3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide (PubChem CID 82703358) has the molecular formula C14H10Br2N2OS and a molecular weight of 414.12 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide
PubChem CID82703358
Molecular FormulaC14H10Br2N2OS
Molecular Weight414.12 g/mol
Exact Mass411.89
IUPAC Name3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide
SMILESNC(=S)c1cc(Br)ccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H10Br2N2OS/c15-9-3-1-2-8(6-9)14(19)18-12-5-4-10(16)7-11(12)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyJIUKEXYOTCQOTK-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

N-(4-bromo-2-carbamothioylphenyl)benzamide
CID 82703506
3-bromo-N-(5-bromo-2-carbamothioylphenyl)benzamide
CID 107798682
3-bromo-N-(2-bromo-4-carbamothioylphenyl)benzamide
CID 107789578
N-(4-bromo-2-carbamothioylphenyl)pyridine-4-carboxamide
CID 82704416
3-bromo-N-(4-bromo-2-carbamothioylphenyl)-4-methylbenzamide
CID 82693792
N-(5-bromo-2-carbamothioylphenyl)-3-methylbenzamide
CID 107798708
N-(4-bromo-2-carbamothioylphenyl)-1H-pyrazole-5-carboxamide
CID 82704410
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
N-(4-bromo-2-carbamothioylphenyl)-5-fluoropyridine-3-carboxamide
CID 104785905
N-(4-bromo-2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 82703356
3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
CID 4101681
N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide
CID 176689257

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide?
The IUPAC name of 3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide (CID 82703358) is 3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide is NC(=S)c1cc(Br)ccc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide?
The InChIKey is JIUKEXYOTCQOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2OS/c15-9-3-1-2-8(6-9)14(19)18-12-5-4-10(16)7-11(12)13(17)20/h1-7H,(H2,17,20)(H,18,19).
What are the key properties of 3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide?
3-bromo-N-(4-bromo-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 3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide is sourced from PubChem (CID 82703358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).