N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide

C14H10F2N2O2S — CID 82683463

IUPACN-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
SMILESNC(=S)c1cc(F)ccc1NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H10F2N2O2S/c15-7-1-3-11(9(5-7)13(17)21)18-14(20)10-6-8(16)2-4-12(10)19/h1-6,19H,(H2,17,21)(H,18,20)
InChIKeyXMPNKQUTLRIXNZ-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.56
Rot. Bonds3

About N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide

N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 82683463) has the molecular formula C14H10F2N2O2S and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
PubChem CID82683463
Molecular FormulaC14H10F2N2O2S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC NameN-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
SMILESNC(=S)c1cc(F)ccc1NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H10F2N2O2S/c15-7-1-3-11(9(5-7)13(17)21)18-14(20)10-6-8(16)2-4-12(10)19/h1-6,19H,(H2,17,21)(H,18,20)
InChIKeyXMPNKQUTLRIXNZ-UHFFFAOYSA-N
XLogP2.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide 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

5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide
CID 82016442
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide
CID 82015339
N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298760
N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 82683459
N-(2-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298392
N-(2-carbamothioyl-4-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82870456
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)-5-methylbenzamide
CID 82683771
N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298712
N-(2-carbamothioyl-4-fluorophenyl)pyridazine-4-carboxamide
CID 104670517
N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide
CID 82683921

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide (CID 82683463) is N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide is NC(=S)c1cc(F)ccc1NC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is XMPNKQUTLRIXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S/c15-7-1-3-11(9(5-7)13(17)21)18-14(20)10-6-8(16)2-4-12(10)19/h1-6,19H,(H2,17,21)(H,18,20).
What are the key properties of N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide?
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 308.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 82683463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).