4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide

C14H10Br2N2O2S — CID 107789542

IUPAC4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide
SMILESNC(=S)c1ccc(NC(=O)c2ccc(Br)cc2O)c(Br)c1
InChIInChI=1S/C14H10Br2N2O2S/c15-8-2-3-9(12(19)6-8)14(20)18-11-4-1-7(13(17)21)5-10(11)16/h1-6,19H,(H2,17,21)(H,18,20)
InChIKeyPQVZQTZXSCCFCO-UHFFFAOYSA-N
MW430.12 g/mol
LogP3.80
Rot. Bonds3

About 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide

4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide (PubChem CID 107789542) has the molecular formula C14H10Br2N2O2S and a molecular weight of 430.12 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide
PubChem CID107789542
Molecular FormulaC14H10Br2N2O2S
Molecular Weight430.12 g/mol
Exact Mass427.88
IUPAC Name4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide
SMILESNC(=S)c1ccc(NC(=O)c2ccc(Br)cc2O)c(Br)c1
InChIInChI=1S/C14H10Br2N2O2S/c15-8-2-3-9(12(19)6-8)14(20)18-11-4-1-7(13(17)21)5-10(11)16/h1-6,19H,(H2,17,21)(H,18,20)
InChIKeyPQVZQTZXSCCFCO-UHFFFAOYSA-N
XLogP3.80
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.12
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide
CID 107789911
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
CID 107789533
3-bromo-N-(2-bromo-4-carbamothioylphenyl)benzamide
CID 107789578
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide
CID 107789633
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide
CID 107798593
4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid
CID 79705701
N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide
CID 107789965
5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide
CID 107798660
N-(2-bromo-4-carbamothioylphenyl)propanamide
CID 107789663
2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide
CID 63591399
3-bromo-N-(4-bromo-2-carbamothioylphenyl)-4-methylbenzamide
CID 82693792

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide (CID 107789542) is 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide is NC(=S)c1ccc(NC(=O)c2ccc(Br)cc2O)c(Br)c1.
What is the InChIKey of 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide?
The InChIKey is PQVZQTZXSCCFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2S/c15-8-2-3-9(12(19)6-8)14(20)18-11-4-1-7(13(17)21)5-10(11)16/h1-6,19H,(H2,17,21)(H,18,20).
What are the key properties of 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide?
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide has a molecular weight of 430.12 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 107789542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).