N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide

C16H15FN2OS — CID 107805792

IUPACN-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2cccc(C)c2C(N)=S)c1
InChIInChI=1S/C16H15FN2OS/c1-9-6-11(8-12(17)7-9)16(20)19-13-5-3-4-10(2)14(13)15(18)21/h3-8H,1-2H3,(H2,18,21)(H,19,20)
InChIKeyVICBQIBPENCVLK-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.33
Rot. Bonds3

About N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide

N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide (PubChem CID 107805792) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide
PubChem CID107805792
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC NameN-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2cccc(C)c2C(N)=S)c1
InChIInChI=1S/C16H15FN2OS/c1-9-6-11(8-12(17)7-9)16(20)19-13-5-3-4-10(2)14(13)15(18)21/h3-8H,1-2H3,(H2,18,21)(H,19,20)
InChIKeyVICBQIBPENCVLK-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.33
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

N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
CID 107805537
N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
CID 43580937
N-(2-carbamothioyl-3-methylphenyl)-2,5-difluorobenzamide
CID 107805515
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 107805578
(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-carbamothioyl-3-methylphenyl)pyridazine-4-carboxamide
CID 107805688
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 107805517
5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide
CID 107805652
1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea
CID 107798932

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide (CID 107805792) is N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2cccc(C)c2C(N)=S)c1.
What is the InChIKey of N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide?
The InChIKey is VICBQIBPENCVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-9-6-11(8-12(17)7-9)16(20)19-13-5-3-4-10(2)14(13)15(18)21/h3-8H,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide?
N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide has a molecular weight of 302.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 107805792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).