2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide

C14H11BrN2O2S — CID 4939197

IUPAC2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cccc(O)c1)c1ccccc1Br
InChIInChI=1S/C14H11BrN2O2S/c15-12-7-2-1-6-11(12)13(19)17-14(20)16-9-4-3-5-10(18)8-9/h1-8,18H,(H2,16,17,19,20)
InChIKeyWVZFHNUAUQWBGR-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.28
Rot. Bonds2

About 2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide

2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide (PubChem CID 4939197) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
PubChem CID4939197
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cccc(O)c1)c1ccccc1Br
InChIInChI=1S/C14H11BrN2O2S/c15-12-7-2-1-6-11(12)13(19)17-14(20)16-9-4-3-5-10(18)8-9/h1-8,18H,(H2,16,17,19,20)
InChIKeyWVZFHNUAUQWBGR-UHFFFAOYSA-N
XLogP3.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]benzamide
CID 1343938
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-bromobenzamide
CID 46762157
2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939146
N-[3-[(2-bromobenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 17112122
4-[(2-bromobenzoyl)carbamothioylamino]benzoic acid
CID 1328259
N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide
CID 978368
3-bromo-N-[(3-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 4939163
2-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide
CID 3941251
4-[(2-bromobenzoyl)carbamothioylamino]benzoate
CID 7316279
5-bromo-N-[(3-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 1016571
2-chloro-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]benzamide
CID 5254364
2-bromo-N-[(4-methylsulfonylphenyl)carbamothioyl]benzamide
CID 89089790

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide (CID 4939197) is 2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1cccc(O)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide?
The InChIKey is WVZFHNUAUQWBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c15-12-7-2-1-6-11(12)13(19)17-14(20)16-9-4-3-5-10(18)8-9/h1-8,18H,(H2,16,17,19,20).
What are the key properties of 2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide?
2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 4939197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).