N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide

C14H10BrClN2O2S — CID 107798593

IUPACN-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide
SMILESNC(=S)c1ccc(Br)cc1NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H10BrClN2O2S/c15-7-1-3-9(13(17)21)11(5-7)18-14(20)10-4-2-8(16)6-12(10)19/h1-6,19H,(H2,17,21)(H,18,20)
InChIKeySTGTVSMIIWMOAN-UHFFFAOYSA-N
MW385.67 g/mol
LogP3.69
Rot. Bonds3

About N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide

N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide (PubChem CID 107798593) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide
PubChem CID107798593
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC NameN-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide
SMILESNC(=S)c1ccc(Br)cc1NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H10BrClN2O2S/c15-7-1-3-9(13(17)21)11(5-7)18-14(20)10-4-2-8(16)6-12(10)19/h1-6,19H,(H2,17,21)(H,18,20)
InChIKeySTGTVSMIIWMOAN-UHFFFAOYSA-N
XLogP3.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 53.69
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

5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide
CID 107798660
N-(5-bromo-2-carbamothioylphenyl)-2,5-difluorobenzamide
CID 107798592
N-(4-bromo-2-carbamothioylphenyl)-2,4-dichlorobenzamide
CID 82695357
N-(5-bromo-2-carbamothioylphenyl)-2-fluorobenzamide
CID 107798721
N-(5-bromo-2-carbamothioylphenyl)-2-chloro-3-methylbenzamide
CID 107798763
2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid
CID 63405092
N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide
CID 106684980
2-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 81110952
3-bromo-N-(5-bromo-2-carbamothioylphenyl)benzamide
CID 107798682
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide
CID 107789542
3-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 104851591
5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
CID 43378988

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide (CID 107798593) is N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide is NC(=S)c1ccc(Br)cc1NC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide?
The InChIKey is STGTVSMIIWMOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c15-7-1-3-9(13(17)21)11(5-7)18-14(20)10-4-2-8(16)6-12(10)19/h1-6,19H,(H2,17,21)(H,18,20).
What are the key properties of N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide?
N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide has a molecular weight of 385.67 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide is sourced from PubChem (CID 107798593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).