3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide

C17H12FN3OS — CID 4647697

IUPAC3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2cccnc12)c1cccc(F)c1
InChIInChI=1S/C17H12FN3OS/c18-13-7-1-5-12(10-13)16(22)21-17(23)20-14-8-2-4-11-6-3-9-19-15(11)14/h1-10H,(H2,20,21,22,23)
InChIKeyAYVRUHSANCUNMU-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.50
Rot. Bonds2

About 3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide

3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide (PubChem CID 4647697) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide
PubChem CID4647697
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC Name3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2cccnc12)c1cccc(F)c1
InChIInChI=1S/C17H12FN3OS/c18-13-7-1-5-12(10-13)16(22)21-17(23)20-14-8-2-4-11-6-3-9-19-15(11)14/h1-10H,(H2,20,21,22,23)
InChIKeyAYVRUHSANCUNMU-UHFFFAOYSA-N
XLogP3.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 881399
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3653441
4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3896580
4-(2-methylpropoxy)-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3413921
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099525
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide
CID 4559222
4-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846864
N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-fluorobenzamide
CID 4032588
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099498
3-fluoro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 2279563

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide?
The IUPAC name of 3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide (CID 4647697) is 3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide?
The canonical SMILES for 3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1cccc2cccnc12)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide?
The InChIKey is AYVRUHSANCUNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS/c18-13-7-1-5-12(10-13)16(22)21-17(23)20-14-8-2-4-11-6-3-9-19-15(11)14/h1-10H,(H2,20,21,22,23).
What are the key properties of 3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide?
3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide has a molecular weight of 325.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide is sourced from PubChem (CID 4647697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).