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

C15H13FN2O2S — CID 107676026

IUPACN-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C15H13FN2O2S/c1-8-2-3-9(14(17)21)6-13(8)18-15(20)11-5-4-10(19)7-12(11)16/h2-7,19H,1H3,(H2,17,21)(H,18,20)
InChIKeyASPUUXAMHHRDRF-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.73
Rot. Bonds3

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

N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide (PubChem CID 107676026) 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-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide
PubChem CID107676026
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C15H13FN2O2S/c1-8-2-3-9(14(17)21)6-13(8)18-15(20)11-5-4-10(19)7-12(11)16/h2-7,19H,1H3,(H2,17,21)(H,18,20)
InChIKeyASPUUXAMHHRDRF-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

3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
CID 107674656
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide
CID 62515366
N-(5-carbamothioyl-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343622
N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802377
N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide
CID 62103338
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107014898
N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide
CID 62105375
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674694
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-4-hydroxybenzamide?
The IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide (CID 107676026) is N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide is Cc1ccc(C(N)=S)cc1NC(=O)c1ccc(O)cc1F.
What is the InChIKey of N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide?
The InChIKey is ASPUUXAMHHRDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-8-2-3-9(14(17)21)6-13(8)18-15(20)11-5-4-10(19)7-12(11)16/h2-7,19H,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide?
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-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-4-hydroxybenzamide is sourced from PubChem (CID 107676026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).