3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide

C18H13FN2OS — CID 881399

IUPAC3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C18H13FN2OS/c19-14-8-3-7-13(11-14)17(22)21-18(23)20-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H2,20,21,22,23)
InChIKeyHBYWNMYFGWTXRJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.11
Rot. Bonds2

About 3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide

3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide (PubChem CID 881399) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide
PubChem CID881399
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C18H13FN2OS/c19-14-8-3-7-13(11-14)17(22)21-18(23)20-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H2,20,21,22,23)
InChIKeyHBYWNMYFGWTXRJ-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.11
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

3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 4647697
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099525
3-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 34231408
3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87472404
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099498
N-(phenanthren-9-ylcarbamothioyl)benzamide
CID 1479750
3-fluoro-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 17099522
2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 4577510
2-[(3-fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid
CID 5179920
N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-fluorobenzamide
CID 4032588
2-[4-[(3-fluorobenzoyl)carbamothioylamino]phenyl]acetic acid
CID 28687153
N-(naphthalen-1-ylcarbamothioyl)butanamide
CID 916625

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide?
The IUPAC name of 3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide (CID 881399) is 3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide?
The canonical SMILES for 3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1cccc2ccccc12)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide?
The InChIKey is HBYWNMYFGWTXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-14-8-3-7-13(11-14)17(22)21-18(23)20-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H2,20,21,22,23).
What are the key properties of 3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide?
3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide has a molecular weight of 324.38 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide is sourced from PubChem (CID 881399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).