N-(4-carbamothioylphenyl)-4-fluorobenzamide

C14H11FN2OS — CID 24710557

IUPACN-(4-carbamothioylphenyl)-4-fluorobenzamide
SMILESNC(=S)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FN2OS/c15-11-5-1-10(2-6-11)14(18)17-12-7-3-9(4-8-12)13(16)19/h1-8H,(H2,16,19)(H,17,18)
InChIKeyLMLNJEPZSRIZTN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.71
Rot. Bonds3

About N-(4-carbamothioylphenyl)-4-fluorobenzamide

N-(4-carbamothioylphenyl)-4-fluorobenzamide (PubChem CID 24710557) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-4-fluorobenzamide
PubChem CID24710557
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC NameN-(4-carbamothioylphenyl)-4-fluorobenzamide
SMILESNC(=S)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FN2OS/c15-11-5-1-10(2-6-11)14(18)17-12-7-3-9(4-8-12)13(16)19/h1-8H,(H2,16,19)(H,17,18)
InChIKeyLMLNJEPZSRIZTN-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.71
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

4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
4-carbamothioyl-N-(3,4-difluorophenyl)benzamide
CID 24706077
N-(4-carbamothioylphenyl)-4-fluoro-2-hydroxybenzamide
CID 107014847
N-(4-anilinophenyl)-4-carbamothioylbenzamide
CID 60559112
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
N-(4-fluorophenyl)-4-formamidobenzamide
CID 168651892
N-(4-carbamothioylphenyl)furan-3-carboxamide
CID 24704520
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-4-fluorobenzamide?
The IUPAC name of N-(4-carbamothioylphenyl)-4-fluorobenzamide (CID 24710557) is N-(4-carbamothioylphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-4-fluorobenzamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-4-fluorobenzamide is NC(=S)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-4-fluorobenzamide?
The InChIKey is LMLNJEPZSRIZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-11-5-1-10(2-6-11)14(18)17-12-7-3-9(4-8-12)13(16)19/h1-8H,(H2,16,19)(H,17,18).
What are the key properties of N-(4-carbamothioylphenyl)-4-fluorobenzamide?
N-(4-carbamothioylphenyl)-4-fluorobenzamide has a molecular weight of 274.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 24710557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).