N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide

C15H13BrN2O2S — CID 107798845

IUPACN-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide
SMILESNC(=S)c1ccc(Br)cc1NC(=O)Cc1cccc(O)c1
InChIInChI=1S/C15H13BrN2O2S/c16-10-4-5-12(15(17)21)13(8-10)18-14(20)7-9-2-1-3-11(19)6-9/h1-6,8,19H,7H2,(H2,17,21)(H,18,20)
InChIKeyTUIINHJMNMCDIP-UHFFFAOYSA-N
MW365.25 g/mol
LogP2.97
Rot. Bonds4

About N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide

N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 107798845) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide
PubChem CID107798845
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide
SMILESNC(=S)c1ccc(Br)cc1NC(=O)Cc1cccc(O)c1
InChIInChI=1S/C15H13BrN2O2S/c16-10-4-5-12(15(17)21)13(8-10)18-14(20)7-9-2-1-3-11(19)6-9/h1-6,8,19H,7H2,(H2,17,21)(H,18,20)
InChIKeyTUIINHJMNMCDIP-UHFFFAOYSA-N
XLogP2.97
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 52.97
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)-2-(4-methylphenyl)acetamide
CID 107798636
N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide
CID 107798725
3-bromo-N-(5-bromo-2-carbamothioylphenyl)benzamide
CID 107798682
5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide
CID 107798660
1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone
CID 82704146
N-(5-bromo-2-carbamothioylphenyl)-3-methylbenzamide
CID 107798708
N-(5-bromo-2-carbamothioylphenyl)-3-cyclohexylpropanamide
CID 107798584
N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide
CID 107798666
1-(5-bromo-2-carbamothioylphenyl)-3-(2-fluorophenyl)urea
CID 107798891
N-(5-bromo-2-carbamothioylphenyl)-2-fluorobenzamide
CID 107798721
2-(3-hydroxyphenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 61399936
3-bromo-2-[[2-(3-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112768

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide (CID 107798845) is N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide is NC(=S)c1ccc(Br)cc1NC(=O)Cc1cccc(O)c1.
What is the InChIKey of N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is TUIINHJMNMCDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c16-10-4-5-12(15(17)21)13(8-10)18-14(20)7-9-2-1-3-11(19)6-9/h1-6,8,19H,7H2,(H2,17,21)(H,18,20).
What are the key properties of N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide?
N-(5-bromo-2-carbamothioylphenyl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 365.25 g/mol, XLogP of 2.97, 4 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)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 107798845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).