5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide

C14H10Br2N2O2S — CID 107798660

IUPAC5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide
SMILESNC(=S)c1ccc(Br)cc1NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H10Br2N2O2S/c15-7-2-4-12(19)10(5-7)14(20)18-11-6-8(16)1-3-9(11)13(17)21/h1-6,19H,(H2,17,21)(H,18,20)
InChIKeyBYVQMFWROBPEAV-UHFFFAOYSA-N
MW430.12 g/mol
LogP3.80
Rot. Bonds3

About 5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide

5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide (PubChem CID 107798660) has the molecular formula C14H10Br2N2O2S and a molecular weight of 430.12 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide
PubChem CID107798660
Molecular FormulaC14H10Br2N2O2S
Molecular Weight430.12 g/mol
Exact Mass427.88
IUPAC Name5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide
SMILESNC(=S)c1ccc(Br)cc1NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H10Br2N2O2S/c15-7-2-4-12(19)10(5-7)14(20)18-11-6-8(16)1-3-9(11)13(17)21/h1-6,19H,(H2,17,21)(H,18,20)
InChIKeyBYVQMFWROBPEAV-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

N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide
CID 107798593
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
N-(5-bromo-2-carbamothioylphenyl)-2-fluorobenzamide
CID 107798721
3-bromo-N-(5-bromo-2-carbamothioylphenyl)benzamide
CID 107798682
N-(5-bromo-2-carbamothioylphenyl)-2,5-difluorobenzamide
CID 107798592
N-(5-bromo-2-carbamothioylphenyl)pyrimidine-5-carboxamide
CID 107798702
N-(5-bromo-2-carbamothioylphenyl)-2-methylsulfanylbenzamide
CID 107798777
2,5-dibromo-N-(2-carbamothioylphenyl)benzamide
CID 114369521
N-(5-bromo-2-carbamothioylphenyl)-2-chloro-3-methylbenzamide
CID 107798763
5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
CID 43378988
N-(5-bromo-2-carbamothioylphenyl)-3-methylbenzamide
CID 107798708
N-(5-bromo-2-carbamothioylphenyl)-1H-pyrazole-4-carboxamide
CID 107798815

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide (CID 107798660) is 5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide is NC(=S)c1ccc(Br)cc1NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide?
The InChIKey is BYVQMFWROBPEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2S/c15-7-2-4-12(19)10(5-7)14(20)18-11-6-8(16)1-3-9(11)13(17)21/h1-6,19H,(H2,17,21)(H,18,20).
What are the key properties of 5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide?
5-bromo-N-(5-bromo-2-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 5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 107798660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).