4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide

C19H18FN3O3S — CID 4933228

IUPAC4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3S/c20-14-7-5-13(6-8-14)17(24)22-19(27)21-16-4-2-1-3-15(16)18(25)23-9-11-26-12-10-23/h1-8H,9-12H2,(H2,21,22,24,27)
InChIKeyZWQLOLUHOPIWAZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.42
Rot. Bonds3

About 4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide

4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide (PubChem CID 4933228) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
PubChem CID4933228
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3S/c20-14-7-5-13(6-8-14)17(24)22-19(27)21-16-4-2-1-3-15(16)18(25)23-9-11-26-12-10-23/h1-8H,9-12H2,(H2,21,22,24,27)
InChIKeyZWQLOLUHOPIWAZ-UHFFFAOYSA-N
XLogP2.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 4933223
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 4938956
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4933178
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045876
2-[(4-fluorobenzoyl)carbamothioylamino]benzamide
CID 2245625
2-[(4-fluorobenzoyl)carbamothioylamino]benzoate
CID 7381171
3-bromo-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17073070
3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
3-butoxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 4957109
3-butan-2-yloxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 17150087
N-[2-(morpholine-4-carbonyl)phenyl]-4-phenoxybenzamide
CID 35325582
N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 4948227

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide?
The IUPAC name of 4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide (CID 4933228) is 4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide is O=C(NC(=S)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide?
The InChIKey is ZWQLOLUHOPIWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-14-7-5-13(6-8-14)17(24)22-19(27)21-16-4-2-1-3-15(16)18(25)23-9-11-26-12-10-23/h1-8H,9-12H2,(H2,21,22,24,27).
What are the key properties of 4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide?
4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 4933228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).