2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide

C18H13BrN2OS — CID 4577510

IUPAC2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1Br
InChIInChI=1S/C18H13BrN2OS/c19-15-10-4-3-9-14(15)17(22)21-18(23)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H2,20,21,22,23)
InChIKeyJMMAWMGOGYJGBI-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.73
Rot. Bonds2

About 2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide

2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide (PubChem CID 4577510) has the molecular formula C18H13BrN2OS and a molecular weight of 385.29 g/mol. Its IUPAC name is 2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide
PubChem CID4577510
Molecular FormulaC18H13BrN2OS
Molecular Weight385.29 g/mol
Exact Mass383.99
IUPAC Name2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1Br
InChIInChI=1S/C18H13BrN2OS/c19-15-10-4-3-9-14(15)17(22)21-18(23)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H2,20,21,22,23)
InChIKeyJMMAWMGOGYJGBI-UHFFFAOYSA-N
XLogP4.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17094028
2-bromo-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1048167
3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 1048337
2-bromo-N-[(2-nitrophenyl)carbamothioyl]benzamide
CID 2896491
2-bromo-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 2278796
2-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]benzamide
CID 1343938
N-(naphthalen-1-ylcarbamothioyl)butanamide
CID 916625
2-bromo-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]benzamide
CID 5088026
N-[(2-bromo-4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 22779174
N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 4197624
3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 881399
2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939197

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide?
The IUPAC name of 2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide (CID 4577510) is 2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide.
What is the SMILES notation for 2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide?
The canonical SMILES for 2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide?
The InChIKey is JMMAWMGOGYJGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2OS/c19-15-10-4-3-9-14(15)17(22)21-18(23)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H2,20,21,22,23).
What are the key properties of 2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide?
2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide has a molecular weight of 385.29 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide is sourced from PubChem (CID 4577510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).