N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide

C15H13FN2O2S — CID 107014898

IUPACN-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C15H13FN2O2S/c1-8-5-6-9(14(17)21)7-11(8)18-15(20)13-10(16)3-2-4-12(13)19/h2-7,19H,1H3,(H2,17,21)(H,18,20)
InChIKeyDWXLXQJEYCHUGR-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.73
Rot. Bonds3

About N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide

N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 107014898) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide
PubChem CID107014898
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C15H13FN2O2S/c1-8-5-6-9(14(17)21)7-11(8)18-15(20)13-10(16)3-2-4-12(13)19/h2-7,19H,1H3,(H2,17,21)(H,18,20)
InChIKeyDWXLXQJEYCHUGR-UHFFFAOYSA-N
XLogP2.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.73
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-(5-carbamothioyl-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343622
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676026
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide
CID 62515366
N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide
CID 62105375
N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide
CID 62103338
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099
N-(2,5-difluoro-4-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107015415
2-bromo-N-(4-carbamothioyl-2-fluorophenyl)-6-fluorobenzamide
CID 114559284
2-fluoro-6-hydroxy-N-(3-hydroxy-2-methylphenyl)benzamide
CID 107015430
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606
N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802377
N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238953

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide (CID 107014898) is N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide is Cc1ccc(C(N)=S)cc1NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is DWXLXQJEYCHUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-8-5-6-9(14(17)21)7-11(8)18-15(20)13-10(16)3-2-4-12(13)19/h2-7,19H,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide?
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 304.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107014898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).