N-[(4-fluorophenyl)methylcarbamothioyl]benzamide

C15H13FN2OS — CID 805345

IUPACN-[(4-fluorophenyl)methylcarbamothioyl]benzamide
SMILESO=C(NC(=S)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H13FN2OS/c16-13-8-6-11(7-9-13)10-17-15(20)18-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,18,19,20)
InChIKeyQGHCTEXADJZNBO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.63
Rot. Bonds3

About N-[(4-fluorophenyl)methylcarbamothioyl]benzamide

N-[(4-fluorophenyl)methylcarbamothioyl]benzamide (PubChem CID 805345) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylcarbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylcarbamothioyl]benzamide
PubChem CID805345
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC NameN-[(4-fluorophenyl)methylcarbamothioyl]benzamide
SMILESO=C(NC(=S)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H13FN2OS/c16-13-8-6-11(7-9-13)10-17-15(20)18-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,18,19,20)
InChIKeyQGHCTEXADJZNBO-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylcarbamothioyl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methylcarbamothioyl]benzamide (CID 805345) is N-[(4-fluorophenyl)methylcarbamothioyl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methylcarbamothioyl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methylcarbamothioyl]benzamide is O=C(NC(=S)NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methylcarbamothioyl]benzamide?
The InChIKey is QGHCTEXADJZNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-13-8-6-11(7-9-13)10-17-15(20)18-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,18,19,20).
What are the key properties of N-[(4-fluorophenyl)methylcarbamothioyl]benzamide?
N-[(4-fluorophenyl)methylcarbamothioyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylcarbamothioyl]benzamide is sourced from PubChem (CID 805345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).