N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide

C14H11FN2O3S — CID 107722046

IUPACN-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide
SMILESNC(=S)c1c(F)cccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H11FN2O3S/c15-9-2-1-3-10(12(9)13(16)21)17-14(20)8-6-7(18)4-5-11(8)19/h1-6,18-19H,(H2,16,21)(H,17,20)
InChIKeyMCHUJKWVEKYSNQ-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.12
Rot. Bonds3

About N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide

N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide (PubChem CID 107722046) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide
PubChem CID107722046
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC NameN-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide
SMILESNC(=S)c1c(F)cccc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H11FN2O3S/c15-9-2-1-3-10(12(9)13(16)21)17-14(20)8-6-7(18)4-5-11(8)19/h1-6,18-19H,(H2,16,21)(H,17,20)
InChIKeyMCHUJKWVEKYSNQ-UHFFFAOYSA-N
XLogP2.12
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioyl-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343600
N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
CID 103892630
2-bromo-N-(2-carbamothioyl-3-fluorophenyl)-4-fluorobenzamide
CID 43580960
N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide
CID 63048603
N-(2-carbamothioyl-3-fluorophenyl)-3-chloro-2-methylbenzamide
CID 107096806
N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
CID 43580937
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide
CID 107722274
N-(2-carbamothioylphenyl)-2-hydroxybenzamide
CID 24692803
3-bromo-N-(2-carbamothioyl-3-fluorophenyl)-4-chlorobenzamide
CID 107999033
N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide
CID 43580877
N-(2-carbamothioyl-3-methylphenyl)-2,5-difluorobenzamide
CID 107805515

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide (CID 107722046) is N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide is NC(=S)c1c(F)cccc1NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide?
The InChIKey is MCHUJKWVEKYSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-9-2-1-3-10(12(9)13(16)21)17-14(20)8-6-7(18)4-5-11(8)19/h1-6,18-19H,(H2,16,21)(H,17,20).
What are the key properties of N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide?
N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide has a molecular weight of 306.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107722046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).