N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide

C14H11FN2O2S — CID 115298712

IUPACN-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide
SMILESNC(=S)c1cccc(NC(=O)c2cc(F)ccc2O)c1
InChIInChI=1S/C14H11FN2O2S/c15-9-4-5-12(18)11(7-9)14(19)17-10-3-1-2-8(6-10)13(16)20/h1-7,18H,(H2,16,20)(H,17,19)
InChIKeyOWQZHCUHZQZYRW-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.42
Rot. Bonds3

About N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide

N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 115298712) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide
PubChem CID115298712
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC NameN-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide
SMILESNC(=S)c1cccc(NC(=O)c2cc(F)ccc2O)c1
InChIInChI=1S/C14H11FN2O2S/c15-9-4-5-12(18)11(7-9)14(19)17-10-3-1-2-8(6-10)13(16)20/h1-7,18H,(H2,16,20)(H,17,19)
InChIKeyOWQZHCUHZQZYRW-UHFFFAOYSA-N
XLogP2.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamothioylphenyl)-3,4-dihydroxybenzamide
CID 107728355
N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298760
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299606
N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide
CID 79532349
N-(3-carbamothioylphenyl)-4-hydroxybenzamide
CID 24695389
3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391
N-(4-carbamothioylphenyl)-4-fluoro-2-hydroxybenzamide
CID 107014847
N-(3-carbamothioylphenyl)-2-hydroxy-4-methoxybenzamide
CID 29032119
5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348
N-(3-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 71459065

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide (CID 115298712) is N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide is NC(=S)c1cccc(NC(=O)c2cc(F)ccc2O)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is OWQZHCUHZQZYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c15-9-4-5-12(18)11(7-9)14(19)17-10-3-1-2-8(6-10)13(16)20/h1-7,18H,(H2,16,20)(H,17,19).
What are the key properties of N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide?
N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 290.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115298712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).