N-[(2-fluorophenyl)carbamothioyl]butanamide

C11H13FN2OS — CID 823795

IUPACN-[(2-fluorophenyl)carbamothioyl]butanamide
SMILESCCCC(=O)NC(=S)Nc1ccccc1F
InChIInChI=1S/C11H13FN2OS/c1-2-5-10(15)14-11(16)13-9-7-4-3-6-8(9)12/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15,16)
InChIKeyJAVJNAGJVSRYRG-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.44
Rot. Bonds3

About N-[(2-fluorophenyl)carbamothioyl]butanamide

N-[(2-fluorophenyl)carbamothioyl]butanamide (PubChem CID 823795) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamothioyl]butanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamothioyl]butanamide
PubChem CID823795
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC NameN-[(2-fluorophenyl)carbamothioyl]butanamide
SMILESCCCC(=O)NC(=S)Nc1ccccc1F
InChIInChI=1S/C11H13FN2OS/c1-2-5-10(15)14-11(16)13-9-7-4-3-6-8(9)12/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15,16)
InChIKeyJAVJNAGJVSRYRG-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-fluorophenyl)carbamothioyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)carbamothioyl]butanamide?
The IUPAC name of N-[(2-fluorophenyl)carbamothioyl]butanamide (CID 823795) is N-[(2-fluorophenyl)carbamothioyl]butanamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamothioyl]butanamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamothioyl]butanamide is CCCC(=O)NC(=S)Nc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)carbamothioyl]butanamide?
The InChIKey is JAVJNAGJVSRYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c1-2-5-10(15)14-11(16)13-9-7-4-3-6-8(9)12/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15,16).
What are the key properties of N-[(2-fluorophenyl)carbamothioyl]butanamide?
N-[(2-fluorophenyl)carbamothioyl]butanamide has a molecular weight of 240.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)carbamothioyl]butanamide is sourced from PubChem (CID 823795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).